USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 703 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 55 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 57 SER OG : rot 180:sc= 0 USER MOD Single : A 265 LYS NZ :NH3+ -167:sc= -0.0426 (180deg=-0.232) USER MOD Single : A 270 SER OG : rot -28:sc= 1.48 USER MOD Single : A 272 LYS NZ :NH3+ -167:sc= -0.011 (180deg=-0.225) USER MOD Single : B 1 MET CE :methyl -132:sc= -0.633 (180deg=-2.04) USER MOD Single : B 1 MET N :NH3+ 163:sc= 1.14 (180deg=0.773) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 THR OG1 : rot 180:sc=-0.00302 USER MOD Single : B 11 LYS NZ :NH3+ 167:sc= -0.0235 (180deg=-0.228) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot -28:sc= 1.38 USER MOD Single : B 19 SER OG : rot 180:sc= -0.817 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 ASN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : B 27 LYS NZ :NH3+ -156:sc= -1.38 (180deg=-1.91) USER MOD Single : B 28 SER OG : rot 67:sc= 0.303 USER MOD Single : B 29 LYS NZ :NH3+ -139:sc= -3.69! (180deg=-5.91!) USER MOD Single : B 31 GLN : amide:sc= -3.89! C(o=-3.9!,f=-2.3!) USER MOD Single : B 33 LYS NZ :NH3+ -167:sc= -0.062 (180deg=-0.268) USER MOD Single : B 40 GLN : amide:sc= -0.342 K(o=-0.34,f=-2.5) USER MOD Single : B 41 GLN : amide:sc= -2.54! C(o=-2.5!,f=-5.1!) USER MOD Single : B 48 LYS NZ :NH3+ -145:sc= -3.44! (180deg=-6.01!) USER MOD Single : B 49 GLN : amide:sc= -1.69 K(o=-1.7,f=-6.7!) USER MOD Single : B 59 TYR OH : rot -102:sc= 0.356 USER MOD Single : B 60 ASN : amide:sc= -0.47 K(o=-0.47,f=-2.1) USER MOD Single : B 62 GLN : amide:sc= -0.796 K(o=-0.8,f=-3.1!) USER MOD Single : B 63 LYS NZ :NH3+ 167:sc= -0.022 (180deg=-0.301) USER MOD Single : B 65 SER OG : rot -88:sc= 0.222 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HE2:sc= -4.44! C(o=-4.4!,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 65 N GLU A 259 15.776 -0.809 0.696 1.00 0.00 N ATOM 66 CA GLU A 259 14.341 -0.600 0.784 1.00 0.00 C ATOM 67 C GLU A 259 13.594 -1.622 -0.067 1.00 0.00 C ATOM 68 O GLU A 259 12.520 -2.097 0.309 1.00 0.00 O ATOM 69 CB GLU A 259 13.997 0.818 0.334 1.00 0.00 C ATOM 70 CG GLU A 259 12.540 1.181 0.534 1.00 0.00 C ATOM 71 CD GLU A 259 12.119 1.144 1.993 1.00 0.00 C ATOM 72 OE1 GLU A 259 12.181 0.057 2.604 1.00 0.00 O ATOM 73 OE2 GLU A 259 11.729 2.204 2.525 1.00 0.00 O ATOM 0 HA GLU A 259 14.031 -0.730 1.821 1.00 0.00 H new ATOM 0 HB2 GLU A 259 14.618 1.525 0.884 1.00 0.00 H new ATOM 0 HB3 GLU A 259 14.248 0.926 -0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 259 12.361 2.179 0.134 1.00 0.00 H new ATOM 0 HG3 GLU A 259 11.917 0.492 -0.037 1.00 0.00 H new ATOM 80 N GLU A 260 14.178 -1.958 -1.214 1.00 0.00 N ATOM 81 CA GLU A 260 13.582 -2.928 -2.125 1.00 0.00 C ATOM 82 C GLU A 260 13.288 -4.236 -1.398 1.00 0.00 C ATOM 83 O GLU A 260 12.257 -4.868 -1.628 1.00 0.00 O ATOM 84 CB GLU A 260 14.516 -3.184 -3.309 1.00 0.00 C ATOM 85 CG GLU A 260 13.974 -4.192 -4.309 1.00 0.00 C ATOM 86 CD GLU A 260 14.927 -4.440 -5.463 1.00 0.00 C ATOM 87 OE1 GLU A 260 16.018 -3.831 -5.474 1.00 0.00 O ATOM 88 OE2 GLU A 260 14.584 -5.244 -6.355 1.00 0.00 O ATOM 0 H GLU A 260 15.066 -1.571 -1.534 1.00 0.00 H new ATOM 0 HA GLU A 260 12.643 -2.519 -2.497 1.00 0.00 H new ATOM 0 HB2 GLU A 260 14.704 -2.241 -3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 260 15.476 -3.539 -2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 260 13.775 -5.134 -3.798 1.00 0.00 H new ATOM 0 HG3 GLU A 260 13.021 -3.834 -4.700 1.00 0.00 H new ATOM 95 N GLU A 261 14.200 -4.630 -0.513 1.00 0.00 N ATOM 96 CA GLU A 261 14.040 -5.857 0.259 1.00 0.00 C ATOM 97 C GLU A 261 12.740 -5.824 1.052 1.00 0.00 C ATOM 98 O GLU A 261 12.031 -6.826 1.147 1.00 0.00 O ATOM 99 CB GLU A 261 15.224 -6.047 1.208 1.00 0.00 C ATOM 100 CG GLU A 261 15.127 -7.303 2.059 1.00 0.00 C ATOM 101 CD GLU A 261 16.311 -7.465 2.993 1.00 0.00 C ATOM 102 OE1 GLU A 261 17.453 -7.542 2.495 1.00 0.00 O ATOM 103 OE2 GLU A 261 16.095 -7.514 4.222 1.00 0.00 O ATOM 0 H GLU A 261 15.058 -4.116 -0.313 1.00 0.00 H new ATOM 0 HA GLU A 261 14.005 -6.696 -0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 261 16.144 -6.084 0.625 1.00 0.00 H new ATOM 0 HB3 GLU A 261 15.296 -5.179 1.863 1.00 0.00 H new ATOM 0 HG2 GLU A 261 14.208 -7.271 2.645 1.00 0.00 H new ATOM 0 HG3 GLU A 261 15.060 -8.175 1.408 1.00 0.00 H new ATOM 110 N LEU A 262 12.431 -4.661 1.615 1.00 0.00 N ATOM 111 CA LEU A 262 11.214 -4.490 2.396 1.00 0.00 C ATOM 112 C LEU A 262 9.984 -4.562 1.496 1.00 0.00 C ATOM 113 O LEU A 262 8.970 -5.152 1.868 1.00 0.00 O ATOM 114 CB LEU A 262 11.244 -3.166 3.167 1.00 0.00 C ATOM 115 CG LEU A 262 12.205 -3.130 4.363 1.00 0.00 C ATOM 116 CD1 LEU A 262 13.651 -3.256 3.907 1.00 0.00 C ATOM 117 CD2 LEU A 262 12.010 -1.854 5.166 1.00 0.00 C ATOM 0 H LEU A 262 13.008 -3.823 1.544 1.00 0.00 H new ATOM 0 HA LEU A 262 11.157 -5.303 3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 262 11.518 -2.368 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 262 10.237 -2.948 3.523 1.00 0.00 H new ATOM 0 HG LEU A 262 11.977 -3.982 5.003 1.00 0.00 H new ATOM 0 HD11 LEU A 262 14.310 -3.227 4.775 1.00 0.00 H new ATOM 0 HD12 LEU A 262 13.785 -4.201 3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 262 13.895 -2.430 3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 262 12.700 -1.846 6.010 1.00 0.00 H new ATOM 0 HD22 LEU A 262 12.205 -0.991 4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 262 10.985 -1.809 5.535 1.00 0.00 H new ATOM 129 N ILE A 263 10.083 -3.971 0.305 1.00 0.00 N ATOM 130 CA ILE A 263 8.974 -3.990 -0.646 1.00 0.00 C ATOM 131 C ILE A 263 8.566 -5.425 -0.975 1.00 0.00 C ATOM 132 O ILE A 263 7.400 -5.794 -0.827 1.00 0.00 O ATOM 133 CB ILE A 263 9.331 -3.235 -1.952 1.00 0.00 C ATOM 134 CG1 ILE A 263 8.862 -1.785 -1.875 1.00 0.00 C ATOM 135 CG2 ILE A 263 8.734 -3.925 -3.175 1.00 0.00 C ATOM 136 CD1 ILE A 263 9.204 -0.966 -3.103 1.00 0.00 C ATOM 0 H ILE A 263 10.914 -3.477 -0.022 1.00 0.00 H new ATOM 0 HA ILE A 263 8.135 -3.480 -0.173 1.00 0.00 H new ATOM 0 HB ILE A 263 10.416 -3.248 -2.059 1.00 0.00 H new ATOM 0 HG12 ILE A 263 7.782 -1.769 -1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 263 9.309 -1.314 -1.000 1.00 0.00 H new ATOM 0 HG21 ILE A 263 9.003 -3.370 -4.074 1.00 0.00 H new ATOM 0 HG22 ILE A 263 9.123 -4.941 -3.246 1.00 0.00 H new ATOM 0 HG23 ILE A 263 7.649 -3.958 -3.081 1.00 0.00 H new ATOM 0 HD11 ILE A 263 8.839 0.053 -2.974 1.00 0.00 H new ATOM 0 HD12 ILE A 263 10.285 -0.949 -3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 263 8.734 -1.412 -3.980 1.00 0.00 H new ATOM 148 N ARG A 264 9.528 -6.231 -1.419 1.00 0.00 N ATOM 149 CA ARG A 264 9.252 -7.619 -1.763 1.00 0.00 C ATOM 150 C ARG A 264 8.819 -8.404 -0.535 1.00 0.00 C ATOM 151 O ARG A 264 7.942 -9.261 -0.621 1.00 0.00 O ATOM 152 CB ARG A 264 10.465 -8.280 -2.409 1.00 0.00 C ATOM 153 CG ARG A 264 11.711 -8.254 -1.543 1.00 0.00 C ATOM 154 CD ARG A 264 12.889 -8.916 -2.240 1.00 0.00 C ATOM 155 NE ARG A 264 13.198 -8.279 -3.518 1.00 0.00 N ATOM 156 CZ ARG A 264 14.193 -8.662 -4.311 1.00 0.00 C ATOM 157 NH1 ARG A 264 14.979 -9.669 -3.954 1.00 0.00 N ATOM 158 NH2 ARG A 264 14.403 -8.037 -5.462 1.00 0.00 N ATOM 0 H ARG A 264 10.499 -5.947 -1.548 1.00 0.00 H new ATOM 0 HA ARG A 264 8.436 -7.623 -2.486 1.00 0.00 H new ATOM 0 HB2 ARG A 264 10.220 -9.315 -2.645 1.00 0.00 H new ATOM 0 HB3 ARG A 264 10.680 -7.780 -3.353 1.00 0.00 H new ATOM 0 HG2 ARG A 264 11.964 -7.222 -1.299 1.00 0.00 H new ATOM 0 HG3 ARG A 264 11.511 -8.764 -0.601 1.00 0.00 H new ATOM 0 HD2 ARG A 264 13.765 -8.872 -1.592 1.00 0.00 H new ATOM 0 HD3 ARG A 264 12.667 -9.970 -2.405 1.00 0.00 H new ATOM 0 HE ARG A 264 12.617 -7.496 -3.818 1.00 0.00 H new ATOM 0 HH11 ARG A 264 14.820 -10.151 -3.069 1.00 0.00 H new ATOM 0 HH12 ARG A 264 15.742 -9.961 -4.564 1.00 0.00 H new ATOM 0 HH21 ARG A 264 13.801 -7.262 -5.739 1.00 0.00 H new ATOM 0 HH22 ARG A 264 15.167 -8.331 -6.070 1.00 0.00 H new ATOM 172 N LYS A 265 9.424 -8.101 0.611 1.00 0.00 N ATOM 173 CA LYS A 265 9.066 -8.778 1.850 1.00 0.00 C ATOM 174 C LYS A 265 7.568 -8.634 2.067 1.00 0.00 C ATOM 175 O LYS A 265 6.866 -9.601 2.378 1.00 0.00 O ATOM 176 CB LYS A 265 9.831 -8.179 3.031 1.00 0.00 C ATOM 177 CG LYS A 265 9.587 -8.903 4.346 1.00 0.00 C ATOM 178 CD LYS A 265 10.371 -8.274 5.489 1.00 0.00 C ATOM 179 CE LYS A 265 11.873 -8.364 5.258 1.00 0.00 C ATOM 180 NZ LYS A 265 12.333 -9.775 5.132 1.00 0.00 N ATOM 0 H LYS A 265 10.157 -7.398 0.705 1.00 0.00 H new ATOM 0 HA LYS A 265 9.331 -9.833 1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 265 10.898 -8.197 2.809 1.00 0.00 H new ATOM 0 HB3 LYS A 265 9.547 -7.133 3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 265 8.523 -8.883 4.580 1.00 0.00 H new ATOM 0 HG3 LYS A 265 9.871 -9.950 4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 265 10.081 -7.229 5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 265 10.116 -8.774 6.424 1.00 0.00 H new ATOM 0 HE2 LYS A 265 12.135 -7.815 4.353 1.00 0.00 H new ATOM 0 HE3 LYS A 265 12.397 -7.884 6.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 13.370 -9.809 5.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 11.919 -10.345 5.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 12.031 -10.158 4.213 1.00 0.00 H new ATOM 194 N ALA A 266 7.085 -7.415 1.855 1.00 0.00 N ATOM 195 CA ALA A 266 5.671 -7.119 1.976 1.00 0.00 C ATOM 196 C ALA A 266 4.902 -7.887 0.911 1.00 0.00 C ATOM 197 O ALA A 266 3.788 -8.357 1.143 1.00 0.00 O ATOM 198 CB ALA A 266 5.435 -5.621 1.839 1.00 0.00 C ATOM 0 H ALA A 266 7.661 -6.614 1.597 1.00 0.00 H new ATOM 0 HA ALA A 266 5.316 -7.428 2.959 1.00 0.00 H new ATOM 0 HB1 ALA A 266 4.370 -5.411 1.932 1.00 0.00 H new ATOM 0 HB2 ALA A 266 5.978 -5.094 2.623 1.00 0.00 H new ATOM 0 HB3 ALA A 266 5.788 -5.285 0.864 1.00 0.00 H new ATOM 204 N ILE A 267 5.524 -8.016 -0.260 1.00 0.00 N ATOM 205 CA ILE A 267 4.926 -8.734 -1.377 1.00 0.00 C ATOM 206 C ILE A 267 4.696 -10.202 -1.026 1.00 0.00 C ATOM 207 O ILE A 267 3.656 -10.775 -1.353 1.00 0.00 O ATOM 208 CB ILE A 267 5.803 -8.632 -2.643 1.00 0.00 C ATOM 209 CG1 ILE A 267 5.883 -7.174 -3.104 1.00 0.00 C ATOM 210 CG2 ILE A 267 5.251 -9.518 -3.752 1.00 0.00 C ATOM 211 CD1 ILE A 267 6.767 -6.960 -4.314 1.00 0.00 C ATOM 0 H ILE A 267 6.447 -7.629 -0.457 1.00 0.00 H new ATOM 0 HA ILE A 267 3.963 -8.266 -1.582 1.00 0.00 H new ATOM 0 HB ILE A 267 6.808 -8.980 -2.404 1.00 0.00 H new ATOM 0 HG12 ILE A 267 4.878 -6.820 -3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 267 6.256 -6.563 -2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 267 5.884 -9.432 -4.635 1.00 0.00 H new ATOM 0 HG22 ILE A 267 5.236 -10.555 -3.416 1.00 0.00 H new ATOM 0 HG23 ILE A 267 4.237 -9.202 -3.999 1.00 0.00 H new ATOM 0 HD11 ILE A 267 6.772 -5.903 -4.579 1.00 0.00 H new ATOM 0 HD12 ILE A 267 7.783 -7.281 -4.084 1.00 0.00 H new ATOM 0 HD13 ILE A 267 6.384 -7.542 -5.152 1.00 0.00 H new ATOM 223 N GLU A 268 5.670 -10.803 -0.350 1.00 0.00 N ATOM 224 CA GLU A 268 5.573 -12.200 0.054 1.00 0.00 C ATOM 225 C GLU A 268 4.458 -12.383 1.077 1.00 0.00 C ATOM 226 O GLU A 268 3.661 -13.318 0.984 1.00 0.00 O ATOM 227 CB GLU A 268 6.905 -12.674 0.637 1.00 0.00 C ATOM 228 CG GLU A 268 8.077 -12.518 -0.319 1.00 0.00 C ATOM 229 CD GLU A 268 9.395 -12.958 0.290 1.00 0.00 C ATOM 230 OE1 GLU A 268 9.395 -13.384 1.464 1.00 0.00 O ATOM 231 OE2 GLU A 268 10.428 -12.877 -0.408 1.00 0.00 O ATOM 0 H GLU A 268 6.536 -10.343 -0.070 1.00 0.00 H new ATOM 0 HA GLU A 268 5.339 -12.800 -0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 268 7.113 -12.114 1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 268 6.815 -13.723 0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 268 7.885 -13.101 -1.220 1.00 0.00 H new ATOM 0 HG3 GLU A 268 8.154 -11.475 -0.625 1.00 0.00 H new ATOM 238 N LEU A 269 4.408 -11.478 2.050 1.00 0.00 N ATOM 239 CA LEU A 269 3.390 -11.530 3.094 1.00 0.00 C ATOM 240 C LEU A 269 1.987 -11.448 2.496 1.00 0.00 C ATOM 241 O LEU A 269 1.083 -12.173 2.911 1.00 0.00 O ATOM 242 CB LEU A 269 3.597 -10.387 4.092 1.00 0.00 C ATOM 243 CG LEU A 269 4.934 -10.408 4.840 1.00 0.00 C ATOM 244 CD1 LEU A 269 5.069 -9.175 5.721 1.00 0.00 C ATOM 245 CD2 LEU A 269 5.062 -11.674 5.676 1.00 0.00 C ATOM 0 H LEU A 269 5.061 -10.699 2.137 1.00 0.00 H new ATOM 0 HA LEU A 269 3.488 -12.483 3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 269 3.512 -9.440 3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 269 2.789 -10.414 4.823 1.00 0.00 H new ATOM 0 HG LEU A 269 5.738 -10.400 4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 269 6.024 -9.205 6.245 1.00 0.00 H new ATOM 0 HD12 LEU A 269 5.023 -8.279 5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 269 4.257 -9.156 6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 269 6.018 -11.669 6.199 1.00 0.00 H new ATOM 0 HD22 LEU A 269 4.251 -11.713 6.403 1.00 0.00 H new ATOM 0 HD23 LEU A 269 5.009 -12.547 5.025 1.00 0.00 H new ATOM 257 N SER A 270 1.811 -10.556 1.525 1.00 0.00 N ATOM 258 CA SER A 270 0.516 -10.374 0.877 1.00 0.00 C ATOM 259 C SER A 270 0.098 -11.625 0.109 1.00 0.00 C ATOM 260 O SER A 270 -1.052 -12.055 0.190 1.00 0.00 O ATOM 261 CB SER A 270 0.555 -9.170 -0.067 1.00 0.00 C ATOM 262 OG SER A 270 1.499 -9.363 -1.106 1.00 0.00 O ATOM 0 H SER A 270 2.549 -9.948 1.170 1.00 0.00 H new ATOM 0 HA SER A 270 -0.222 -10.192 1.658 1.00 0.00 H new ATOM 0 HB2 SER A 270 -0.434 -9.009 -0.496 1.00 0.00 H new ATOM 0 HB3 SER A 270 0.808 -8.272 0.496 1.00 0.00 H new ATOM 0 HG SER A 270 2.217 -9.950 -0.790 1.00 0.00 H new ATOM 268 N LEU A 271 1.036 -12.204 -0.638 1.00 0.00 N ATOM 269 CA LEU A 271 0.754 -13.404 -1.421 1.00 0.00 C ATOM 270 C LEU A 271 0.268 -14.542 -0.530 1.00 0.00 C ATOM 271 O LEU A 271 -0.718 -15.209 -0.845 1.00 0.00 O ATOM 272 CB LEU A 271 1.998 -13.843 -2.198 1.00 0.00 C ATOM 273 CG LEU A 271 2.451 -12.879 -3.298 1.00 0.00 C ATOM 274 CD1 LEU A 271 3.705 -13.403 -3.981 1.00 0.00 C ATOM 275 CD2 LEU A 271 1.338 -12.669 -4.315 1.00 0.00 C ATOM 0 H LEU A 271 1.994 -11.863 -0.717 1.00 0.00 H new ATOM 0 HA LEU A 271 -0.039 -13.160 -2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 271 2.819 -13.977 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 271 1.802 -14.816 -2.648 1.00 0.00 H new ATOM 0 HG LEU A 271 2.684 -11.918 -2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 271 4.013 -12.706 -4.760 1.00 0.00 H new ATOM 0 HD12 LEU A 271 4.504 -13.503 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 271 3.497 -14.376 -4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 271 1.678 -11.981 -5.089 1.00 0.00 H new ATOM 0 HD22 LEU A 271 1.075 -13.624 -4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 271 0.464 -12.251 -3.816 1.00 0.00 H new ATOM 287 N LYS A 272 0.959 -14.757 0.585 1.00 0.00 N ATOM 288 CA LYS A 272 0.585 -15.814 1.518 1.00 0.00 C ATOM 289 C LYS A 272 -0.822 -15.578 2.060 1.00 0.00 C ATOM 290 O LYS A 272 -1.621 -16.509 2.172 1.00 0.00 O ATOM 291 CB LYS A 272 1.587 -15.885 2.674 1.00 0.00 C ATOM 292 CG LYS A 272 1.293 -16.996 3.671 1.00 0.00 C ATOM 293 CD LYS A 272 1.413 -18.370 3.031 1.00 0.00 C ATOM 294 CE LYS A 272 1.087 -19.477 4.021 1.00 0.00 C ATOM 295 NZ LYS A 272 1.999 -19.456 5.198 1.00 0.00 N ATOM 0 H LYS A 272 1.777 -14.216 0.864 1.00 0.00 H new ATOM 0 HA LYS A 272 0.598 -16.763 0.982 1.00 0.00 H new ATOM 0 HB2 LYS A 272 2.588 -16.029 2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 272 1.591 -14.930 3.199 1.00 0.00 H new ATOM 0 HG2 LYS A 272 1.984 -16.924 4.511 1.00 0.00 H new ATOM 0 HG3 LYS A 272 0.288 -16.868 4.073 1.00 0.00 H new ATOM 0 HD2 LYS A 272 0.739 -18.435 2.177 1.00 0.00 H new ATOM 0 HD3 LYS A 272 2.425 -18.508 2.650 1.00 0.00 H new ATOM 0 HE2 LYS A 272 0.056 -19.370 4.359 1.00 0.00 H new ATOM 0 HE3 LYS A 272 1.160 -20.443 3.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 272 1.895 -20.341 5.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 272 2.983 -19.362 4.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 272 1.758 -18.650 5.810 1.00 0.00 H new ATOM 396 N MET B 1 -15.133 2.940 1.405 1.00 0.00 N ATOM 397 CA MET B 1 -14.729 1.693 2.105 1.00 0.00 C ATOM 398 C MET B 1 -13.449 1.901 2.911 1.00 0.00 C ATOM 399 O MET B 1 -12.472 2.464 2.414 1.00 0.00 O ATOM 400 CB MET B 1 -14.534 0.590 1.060 1.00 0.00 C ATOM 401 CG MET B 1 -13.474 0.913 0.020 1.00 0.00 C ATOM 402 SD MET B 1 -13.347 -0.348 -1.263 1.00 0.00 S ATOM 403 CE MET B 1 -12.917 -1.786 -0.287 1.00 0.00 C ATOM 0 H1 MET B 1 -15.816 2.711 0.654 1.00 0.00 H new ATOM 0 H2 MET B 1 -15.572 3.593 2.085 1.00 0.00 H new ATOM 0 H3 MET B 1 -14.294 3.390 0.985 1.00 0.00 H new ATOM 0 HA MET B 1 -15.510 1.406 2.809 1.00 0.00 H new ATOM 0 HB2 MET B 1 -14.262 -0.335 1.568 1.00 0.00 H new ATOM 0 HB3 MET B 1 -15.483 0.409 0.555 1.00 0.00 H new ATOM 0 HG2 MET B 1 -13.705 1.873 -0.442 1.00 0.00 H new ATOM 0 HG3 MET B 1 -12.508 1.021 0.514 1.00 0.00 H new ATOM 0 HE1 MET B 1 -12.071 -2.298 -0.746 1.00 0.00 H new ATOM 0 HE2 MET B 1 -12.648 -1.474 0.722 1.00 0.00 H new ATOM 0 HE3 MET B 1 -13.770 -2.463 -0.242 1.00 0.00 H new ATOM 415 N GLN B 2 -13.468 1.449 4.162 1.00 0.00 N ATOM 416 CA GLN B 2 -12.316 1.584 5.048 1.00 0.00 C ATOM 417 C GLN B 2 -11.246 0.548 4.722 1.00 0.00 C ATOM 418 O GLN B 2 -11.557 -0.592 4.382 1.00 0.00 O ATOM 419 CB GLN B 2 -12.747 1.439 6.508 1.00 0.00 C ATOM 420 CG GLN B 2 -13.711 2.519 6.969 1.00 0.00 C ATOM 421 CD GLN B 2 -14.109 2.360 8.422 1.00 0.00 C ATOM 422 OE1 GLN B 2 -14.717 1.360 8.806 1.00 0.00 O ATOM 423 NE2 GLN B 2 -13.763 3.346 9.241 1.00 0.00 N ATOM 0 H GLN B 2 -14.271 0.985 4.586 1.00 0.00 H new ATOM 0 HA GLN B 2 -11.893 2.577 4.895 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -13.215 0.464 6.645 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -11.861 1.459 7.143 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -13.251 3.497 6.827 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -14.605 2.494 6.346 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -13.260 4.156 8.880 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -14.000 3.293 10.232 1.00 0.00 H new ATOM 432 N ILE B 3 -9.985 0.952 4.838 1.00 0.00 N ATOM 433 CA ILE B 3 -8.864 0.060 4.565 1.00 0.00 C ATOM 434 C ILE B 3 -7.675 0.389 5.461 1.00 0.00 C ATOM 435 O ILE B 3 -7.366 1.559 5.697 1.00 0.00 O ATOM 436 CB ILE B 3 -8.412 0.139 3.091 1.00 0.00 C ATOM 437 CG1 ILE B 3 -8.021 1.575 2.730 1.00 0.00 C ATOM 438 CG2 ILE B 3 -9.508 -0.371 2.164 1.00 0.00 C ATOM 439 CD1 ILE B 3 -7.459 1.718 1.332 1.00 0.00 C ATOM 0 H ILE B 3 -9.714 1.894 5.120 1.00 0.00 H new ATOM 0 HA ILE B 3 -9.214 -0.951 4.772 1.00 0.00 H new ATOM 0 HB ILE B 3 -7.537 -0.499 2.963 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -8.897 2.216 2.828 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -7.283 1.933 3.448 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -9.169 -0.307 1.130 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -9.736 -1.409 2.407 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -10.404 0.237 2.291 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -7.205 2.762 1.147 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -6.564 1.104 1.235 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -8.203 1.392 0.606 1.00 0.00 H new ATOM 451 N PHE B 4 -7.010 -0.651 5.955 1.00 0.00 N ATOM 452 CA PHE B 4 -5.848 -0.475 6.818 1.00 0.00 C ATOM 453 C PHE B 4 -4.566 -0.390 6.004 1.00 0.00 C ATOM 454 O PHE B 4 -4.485 -0.919 4.895 1.00 0.00 O ATOM 455 CB PHE B 4 -5.735 -1.613 7.834 1.00 0.00 C ATOM 456 CG PHE B 4 -6.560 -1.403 9.070 1.00 0.00 C ATOM 457 CD1 PHE B 4 -7.881 -1.813 9.122 1.00 0.00 C ATOM 458 CD2 PHE B 4 -6.008 -0.784 10.180 1.00 0.00 C ATOM 459 CE1 PHE B 4 -8.637 -1.613 10.262 1.00 0.00 C ATOM 460 CE2 PHE B 4 -6.757 -0.580 11.321 1.00 0.00 C ATOM 461 CZ PHE B 4 -8.074 -0.996 11.363 1.00 0.00 C ATOM 0 H PHE B 4 -7.256 -1.624 5.772 1.00 0.00 H new ATOM 0 HA PHE B 4 -5.987 0.463 7.355 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -6.041 -2.545 7.358 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -4.690 -1.729 8.121 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -8.326 -2.294 8.263 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -4.979 -0.457 10.152 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -9.666 -1.939 10.292 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -6.315 -0.096 12.179 1.00 0.00 H new ATOM 0 HZ PHE B 4 -8.663 -0.839 12.255 1.00 0.00 H new ATOM 471 N VAL B 5 -3.563 0.271 6.569 1.00 0.00 N ATOM 472 CA VAL B 5 -2.274 0.418 5.908 1.00 0.00 C ATOM 473 C VAL B 5 -1.141 0.162 6.894 1.00 0.00 C ATOM 474 O VAL B 5 -0.974 0.898 7.868 1.00 0.00 O ATOM 475 CB VAL B 5 -2.110 1.824 5.297 1.00 0.00 C ATOM 476 CG1 VAL B 5 -0.770 1.950 4.587 1.00 0.00 C ATOM 477 CG2 VAL B 5 -3.255 2.129 4.343 1.00 0.00 C ATOM 0 H VAL B 5 -3.619 0.714 7.486 1.00 0.00 H new ATOM 0 HA VAL B 5 -2.234 -0.316 5.103 1.00 0.00 H new ATOM 0 HB VAL B 5 -2.135 2.554 6.106 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -0.675 2.950 4.163 1.00 0.00 H new ATOM 0 HG12 VAL B 5 0.037 1.780 5.300 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -0.710 1.210 3.788 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -3.122 3.125 3.922 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -3.264 1.393 3.539 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -4.200 2.087 4.884 1.00 0.00 H new ATOM 487 N LYS B 6 -0.374 -0.894 6.641 1.00 0.00 N ATOM 488 CA LYS B 6 0.738 -1.259 7.509 1.00 0.00 C ATOM 489 C LYS B 6 2.051 -0.653 7.027 1.00 0.00 C ATOM 490 O LYS B 6 2.416 -0.775 5.855 1.00 0.00 O ATOM 491 CB LYS B 6 0.876 -2.781 7.588 1.00 0.00 C ATOM 492 CG LYS B 6 2.085 -3.238 8.391 1.00 0.00 C ATOM 493 CD LYS B 6 2.217 -4.754 8.404 1.00 0.00 C ATOM 494 CE LYS B 6 1.091 -5.409 9.186 1.00 0.00 C ATOM 495 NZ LYS B 6 1.231 -6.892 9.225 1.00 0.00 N ATOM 0 H LYS B 6 -0.503 -1.512 5.840 1.00 0.00 H new ATOM 0 HA LYS B 6 0.521 -0.860 8.500 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -0.026 -3.197 8.036 1.00 0.00 H new ATOM 0 HB3 LYS B 6 0.946 -3.185 6.578 1.00 0.00 H new ATOM 0 HG2 LYS B 6 2.989 -2.798 7.969 1.00 0.00 H new ATOM 0 HG3 LYS B 6 2.001 -2.872 9.414 1.00 0.00 H new ATOM 0 HD2 LYS B 6 2.215 -5.128 7.380 1.00 0.00 H new ATOM 0 HD3 LYS B 6 3.175 -5.032 8.843 1.00 0.00 H new ATOM 0 HE2 LYS B 6 1.081 -5.018 10.204 1.00 0.00 H new ATOM 0 HE3 LYS B 6 0.135 -5.146 8.734 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 0.444 -7.301 9.768 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 1.215 -7.268 8.255 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 2.132 -7.144 9.679 1.00 0.00 H new ATOM 509 N THR B 7 2.766 -0.023 7.951 1.00 0.00 N ATOM 510 CA THR B 7 4.055 0.581 7.648 1.00 0.00 C ATOM 511 C THR B 7 5.163 -0.457 7.788 1.00 0.00 C ATOM 512 O THR B 7 5.075 -1.348 8.633 1.00 0.00 O ATOM 513 CB THR B 7 4.354 1.768 8.582 1.00 0.00 C ATOM 514 OG1 THR B 7 4.402 1.322 9.943 1.00 0.00 O ATOM 515 CG2 THR B 7 3.294 2.851 8.438 1.00 0.00 C ATOM 0 H THR B 7 2.472 0.083 8.922 1.00 0.00 H new ATOM 0 HA THR B 7 4.015 0.948 6.623 1.00 0.00 H new ATOM 0 HB THR B 7 5.321 2.186 8.302 1.00 0.00 H new ATOM 0 HG1 THR B 7 4.594 2.083 10.530 1.00 0.00 H new ATOM 0 HG21 THR B 7 3.527 3.679 9.108 1.00 0.00 H new ATOM 0 HG22 THR B 7 3.278 3.210 7.409 1.00 0.00 H new ATOM 0 HG23 THR B 7 2.317 2.441 8.694 1.00 0.00 H new ATOM 563 N LYS B 11 3.146 -0.723 11.823 1.00 0.00 N ATOM 564 CA LYS B 11 2.013 0.040 12.339 1.00 0.00 C ATOM 565 C LYS B 11 0.898 0.146 11.303 1.00 0.00 C ATOM 566 O LYS B 11 1.075 0.747 10.243 1.00 0.00 O ATOM 567 CB LYS B 11 2.474 1.440 12.750 1.00 0.00 C ATOM 568 CG LYS B 11 1.387 2.278 13.404 1.00 0.00 C ATOM 569 CD LYS B 11 1.910 3.646 13.808 1.00 0.00 C ATOM 570 CE LYS B 11 0.827 4.489 14.461 1.00 0.00 C ATOM 571 NZ LYS B 11 0.317 3.865 15.714 1.00 0.00 N ATOM 0 HA LYS B 11 1.619 -0.486 13.209 1.00 0.00 H new ATOM 0 HB2 LYS B 11 3.313 1.348 13.440 1.00 0.00 H new ATOM 0 HB3 LYS B 11 2.842 1.964 11.868 1.00 0.00 H new ATOM 0 HG2 LYS B 11 0.551 2.395 12.714 1.00 0.00 H new ATOM 0 HG3 LYS B 11 1.004 1.759 14.283 1.00 0.00 H new ATOM 0 HD2 LYS B 11 2.745 3.527 14.498 1.00 0.00 H new ATOM 0 HD3 LYS B 11 2.294 4.163 12.929 1.00 0.00 H new ATOM 0 HE2 LYS B 11 1.223 5.480 14.684 1.00 0.00 H new ATOM 0 HE3 LYS B 11 0.002 4.626 13.762 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -0.250 4.559 16.241 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -0.274 3.043 15.477 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 1.119 3.557 16.300 1.00 0.00 H new ATOM 585 N THR B 12 -0.255 -0.435 11.625 1.00 0.00 N ATOM 586 CA THR B 12 -1.410 -0.406 10.738 1.00 0.00 C ATOM 587 C THR B 12 -2.353 0.734 11.110 1.00 0.00 C ATOM 588 O THR B 12 -2.605 0.975 12.290 1.00 0.00 O ATOM 589 CB THR B 12 -2.184 -1.733 10.792 1.00 0.00 C ATOM 590 OG1 THR B 12 -2.632 -1.985 12.129 1.00 0.00 O ATOM 591 CG2 THR B 12 -1.316 -2.889 10.319 1.00 0.00 C ATOM 0 H THR B 12 -0.412 -0.934 12.500 1.00 0.00 H new ATOM 0 HA THR B 12 -1.035 -0.251 9.726 1.00 0.00 H new ATOM 0 HB THR B 12 -3.045 -1.651 10.128 1.00 0.00 H new ATOM 0 HG1 THR B 12 -3.126 -2.831 12.155 1.00 0.00 H new ATOM 0 HG21 THR B 12 -1.887 -3.816 10.367 1.00 0.00 H new ATOM 0 HG22 THR B 12 -1.000 -2.710 9.291 1.00 0.00 H new ATOM 0 HG23 THR B 12 -0.438 -2.970 10.959 1.00 0.00 H new ATOM 599 N ILE B 13 -2.872 1.436 10.104 1.00 0.00 N ATOM 600 CA ILE B 13 -3.783 2.552 10.350 1.00 0.00 C ATOM 601 C ILE B 13 -4.990 2.524 9.415 1.00 0.00 C ATOM 602 O ILE B 13 -4.862 2.242 8.223 1.00 0.00 O ATOM 603 CB ILE B 13 -3.071 3.907 10.188 1.00 0.00 C ATOM 604 CG1 ILE B 13 -1.878 4.009 11.143 1.00 0.00 C ATOM 605 CG2 ILE B 13 -4.051 5.046 10.428 1.00 0.00 C ATOM 606 CD1 ILE B 13 -2.260 3.959 12.608 1.00 0.00 C ATOM 0 H ILE B 13 -2.679 1.254 9.119 1.00 0.00 H new ATOM 0 HA ILE B 13 -4.126 2.438 11.378 1.00 0.00 H new ATOM 0 HB ILE B 13 -2.694 3.982 9.168 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -1.184 3.196 10.930 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -1.347 4.941 10.947 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -3.536 6.000 10.311 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -4.866 4.983 9.707 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -4.454 4.973 11.438 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -1.362 4.037 13.221 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -2.929 4.788 12.838 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -2.764 3.016 12.821 1.00 0.00 H new ATOM 618 N THR B 14 -6.159 2.838 9.970 1.00 0.00 N ATOM 619 CA THR B 14 -7.399 2.871 9.200 1.00 0.00 C ATOM 620 C THR B 14 -7.437 4.090 8.285 1.00 0.00 C ATOM 621 O THR B 14 -6.960 5.164 8.653 1.00 0.00 O ATOM 622 CB THR B 14 -8.634 2.920 10.121 1.00 0.00 C ATOM 623 OG1 THR B 14 -8.606 1.827 11.043 1.00 0.00 O ATOM 624 CG2 THR B 14 -9.919 2.866 9.308 1.00 0.00 C ATOM 0 H THR B 14 -6.273 3.074 10.956 1.00 0.00 H new ATOM 0 HA THR B 14 -7.425 1.957 8.607 1.00 0.00 H new ATOM 0 HB THR B 14 -8.607 3.860 10.672 1.00 0.00 H new ATOM 0 HG1 THR B 14 -8.118 1.076 10.645 1.00 0.00 H new ATOM 0 HG21 THR B 14 -10.776 2.902 9.980 1.00 0.00 H new ATOM 0 HG22 THR B 14 -9.955 3.717 8.628 1.00 0.00 H new ATOM 0 HG23 THR B 14 -9.947 1.940 8.733 1.00 0.00 H new ATOM 632 N LEU B 15 -8.017 3.927 7.100 1.00 0.00 N ATOM 633 CA LEU B 15 -8.122 5.031 6.153 1.00 0.00 C ATOM 634 C LEU B 15 -9.350 4.851 5.263 1.00 0.00 C ATOM 635 O LEU B 15 -9.467 3.862 4.538 1.00 0.00 O ATOM 636 CB LEU B 15 -6.847 5.124 5.305 1.00 0.00 C ATOM 637 CG LEU B 15 -6.563 6.494 4.673 1.00 0.00 C ATOM 638 CD1 LEU B 15 -7.663 6.892 3.701 1.00 0.00 C ATOM 639 CD2 LEU B 15 -6.399 7.555 5.752 1.00 0.00 C ATOM 0 H LEU B 15 -8.419 3.048 6.774 1.00 0.00 H new ATOM 0 HA LEU B 15 -8.235 5.962 6.709 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -5.997 4.850 5.930 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -6.909 4.383 4.508 1.00 0.00 H new ATOM 0 HG LEU B 15 -5.631 6.417 4.113 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -7.433 7.866 3.270 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -7.731 6.150 2.905 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -8.615 6.945 4.230 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -6.198 8.520 5.286 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -7.314 7.620 6.341 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -5.567 7.286 6.403 1.00 0.00 H new ATOM 651 N GLU B 16 -10.264 5.816 5.333 1.00 0.00 N ATOM 652 CA GLU B 16 -11.494 5.780 4.547 1.00 0.00 C ATOM 653 C GLU B 16 -11.243 6.212 3.105 1.00 0.00 C ATOM 654 O GLU B 16 -10.643 7.258 2.860 1.00 0.00 O ATOM 655 CB GLU B 16 -12.547 6.692 5.186 1.00 0.00 C ATOM 656 CG GLU B 16 -13.850 6.784 4.402 1.00 0.00 C ATOM 657 CD GLU B 16 -14.595 5.465 4.336 1.00 0.00 C ATOM 658 OE1 GLU B 16 -14.042 4.497 3.776 1.00 0.00 O ATOM 659 OE2 GLU B 16 -15.734 5.401 4.844 1.00 0.00 O ATOM 0 H GLU B 16 -10.174 6.638 5.931 1.00 0.00 H new ATOM 0 HA GLU B 16 -11.858 4.753 4.535 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -12.765 6.329 6.190 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -12.128 7.693 5.293 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -14.492 7.535 4.862 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -13.635 7.125 3.389 1.00 0.00 H new ATOM 666 N VAL B 17 -11.718 5.407 2.155 1.00 0.00 N ATOM 667 CA VAL B 17 -11.555 5.711 0.735 1.00 0.00 C ATOM 668 C VAL B 17 -12.664 5.073 -0.095 1.00 0.00 C ATOM 669 O VAL B 17 -12.936 3.880 0.027 1.00 0.00 O ATOM 670 CB VAL B 17 -10.194 5.223 0.192 1.00 0.00 C ATOM 671 CG1 VAL B 17 -9.051 6.045 0.766 1.00 0.00 C ATOM 672 CG2 VAL B 17 -9.998 3.747 0.497 1.00 0.00 C ATOM 0 H VAL B 17 -12.219 4.539 2.344 1.00 0.00 H new ATOM 0 HA VAL B 17 -11.604 6.796 0.648 1.00 0.00 H new ATOM 0 HB VAL B 17 -10.193 5.356 -0.890 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -8.104 5.680 0.367 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -9.182 7.092 0.491 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -9.046 5.953 1.852 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -9.034 3.420 0.107 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -10.025 3.592 1.576 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -10.794 3.170 0.027 1.00 0.00 H new ATOM 682 N GLU B 18 -13.297 5.875 -0.946 1.00 0.00 N ATOM 683 CA GLU B 18 -14.369 5.383 -1.803 1.00 0.00 C ATOM 684 C GLU B 18 -13.810 4.509 -2.921 1.00 0.00 C ATOM 685 O GLU B 18 -12.786 4.835 -3.522 1.00 0.00 O ATOM 686 CB GLU B 18 -15.161 6.551 -2.397 1.00 0.00 C ATOM 687 CG GLU B 18 -15.916 7.370 -1.361 1.00 0.00 C ATOM 688 CD GLU B 18 -17.003 6.577 -0.657 1.00 0.00 C ATOM 689 OE1 GLU B 18 -17.205 5.396 -1.011 1.00 0.00 O ATOM 690 OE2 GLU B 18 -17.657 7.140 0.245 1.00 0.00 O ATOM 0 H GLU B 18 -13.086 6.866 -1.060 1.00 0.00 H new ATOM 0 HA GLU B 18 -15.039 4.779 -1.192 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -14.476 7.206 -2.935 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -15.871 6.163 -3.127 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -15.211 7.748 -0.620 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -16.363 8.237 -1.847 1.00 0.00 H new ATOM 697 N SER B 19 -14.488 3.399 -3.193 1.00 0.00 N ATOM 698 CA SER B 19 -14.061 2.475 -4.238 1.00 0.00 C ATOM 699 C SER B 19 -13.949 3.188 -5.583 1.00 0.00 C ATOM 700 O SER B 19 -13.053 2.899 -6.377 1.00 0.00 O ATOM 701 CB SER B 19 -15.040 1.304 -4.343 1.00 0.00 C ATOM 702 OG SER B 19 -14.657 0.409 -5.372 1.00 0.00 O ATOM 0 H SER B 19 -15.337 3.117 -2.703 1.00 0.00 H new ATOM 0 HA SER B 19 -13.077 2.091 -3.971 1.00 0.00 H new ATOM 0 HB2 SER B 19 -15.080 0.773 -3.392 1.00 0.00 H new ATOM 0 HB3 SER B 19 -16.043 1.682 -4.540 1.00 0.00 H new ATOM 0 HG SER B 19 -15.298 -0.331 -5.417 1.00 0.00 H new ATOM 708 N SER B 20 -14.867 4.118 -5.832 1.00 0.00 N ATOM 709 CA SER B 20 -14.875 4.874 -7.081 1.00 0.00 C ATOM 710 C SER B 20 -13.576 5.655 -7.258 1.00 0.00 C ATOM 711 O SER B 20 -12.976 5.643 -8.334 1.00 0.00 O ATOM 712 CB SER B 20 -16.068 5.833 -7.112 1.00 0.00 C ATOM 713 OG SER B 20 -16.102 6.566 -8.325 1.00 0.00 O ATOM 0 H SER B 20 -15.615 4.366 -5.185 1.00 0.00 H new ATOM 0 HA SER B 20 -14.964 4.164 -7.904 1.00 0.00 H new ATOM 0 HB2 SER B 20 -16.994 5.270 -6.998 1.00 0.00 H new ATOM 0 HB3 SER B 20 -16.007 6.521 -6.269 1.00 0.00 H new ATOM 0 HG SER B 20 -16.874 7.170 -8.321 1.00 0.00 H new ATOM 719 N ASP B 21 -13.146 6.331 -6.197 1.00 0.00 N ATOM 720 CA ASP B 21 -11.915 7.116 -6.236 1.00 0.00 C ATOM 721 C ASP B 21 -10.713 6.229 -6.541 1.00 0.00 C ATOM 722 O ASP B 21 -10.605 5.115 -6.029 1.00 0.00 O ATOM 723 CB ASP B 21 -11.705 7.845 -4.908 1.00 0.00 C ATOM 724 CG ASP B 21 -12.811 8.841 -4.614 1.00 0.00 C ATOM 725 OD1 ASP B 21 -13.983 8.420 -4.532 1.00 0.00 O ATOM 726 OD2 ASP B 21 -12.503 10.043 -4.467 1.00 0.00 O ATOM 0 H ASP B 21 -13.631 6.352 -5.300 1.00 0.00 H new ATOM 0 HA ASP B 21 -12.010 7.853 -7.033 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -11.653 7.115 -4.100 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -10.747 8.365 -4.930 1.00 0.00 H new ATOM 731 N THR B 22 -9.815 6.729 -7.384 1.00 0.00 N ATOM 732 CA THR B 22 -8.622 5.982 -7.766 1.00 0.00 C ATOM 733 C THR B 22 -7.637 5.866 -6.601 1.00 0.00 C ATOM 734 O THR B 22 -8.033 5.906 -5.436 1.00 0.00 O ATOM 735 CB THR B 22 -7.916 6.643 -8.966 1.00 0.00 C ATOM 736 OG1 THR B 22 -7.514 7.976 -8.627 1.00 0.00 O ATOM 737 CG2 THR B 22 -8.834 6.680 -10.179 1.00 0.00 C ATOM 0 H THR B 22 -9.891 7.650 -7.816 1.00 0.00 H new ATOM 0 HA THR B 22 -8.950 4.982 -8.049 1.00 0.00 H new ATOM 0 HB THR B 22 -7.035 6.050 -9.212 1.00 0.00 H new ATOM 0 HG1 THR B 22 -7.065 8.387 -9.395 1.00 0.00 H new ATOM 0 HG21 THR B 22 -8.315 7.151 -11.014 1.00 0.00 H new ATOM 0 HG22 THR B 22 -9.115 5.663 -10.453 1.00 0.00 H new ATOM 0 HG23 THR B 22 -9.730 7.253 -9.940 1.00 0.00 H new ATOM 745 N ILE B 23 -6.353 5.718 -6.925 1.00 0.00 N ATOM 746 CA ILE B 23 -5.311 5.592 -5.912 1.00 0.00 C ATOM 747 C ILE B 23 -4.831 6.960 -5.439 1.00 0.00 C ATOM 748 O ILE B 23 -4.585 7.165 -4.250 1.00 0.00 O ATOM 749 CB ILE B 23 -4.103 4.797 -6.446 1.00 0.00 C ATOM 750 CG1 ILE B 23 -4.552 3.437 -6.986 1.00 0.00 C ATOM 751 CG2 ILE B 23 -3.058 4.619 -5.353 1.00 0.00 C ATOM 752 CD1 ILE B 23 -5.208 2.552 -5.947 1.00 0.00 C ATOM 0 H ILE B 23 -6.011 5.683 -7.885 1.00 0.00 H new ATOM 0 HA ILE B 23 -5.752 5.055 -5.073 1.00 0.00 H new ATOM 0 HB ILE B 23 -3.654 5.360 -7.264 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -5.251 3.596 -7.808 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -3.687 2.917 -7.399 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -2.212 4.056 -5.747 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -2.716 5.597 -5.013 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -3.496 4.077 -4.515 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -5.498 1.607 -6.405 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -4.506 2.361 -5.136 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -6.093 3.050 -5.551 1.00 0.00 H new ATOM 764 N ASP B 24 -4.687 7.887 -6.383 1.00 0.00 N ATOM 765 CA ASP B 24 -4.222 9.236 -6.073 1.00 0.00 C ATOM 766 C ASP B 24 -5.019 9.841 -4.923 1.00 0.00 C ATOM 767 O ASP B 24 -4.449 10.444 -4.014 1.00 0.00 O ATOM 768 CB ASP B 24 -4.327 10.132 -7.307 1.00 0.00 C ATOM 769 CG ASP B 24 -3.832 11.540 -7.039 1.00 0.00 C ATOM 770 OD1 ASP B 24 -2.648 11.692 -6.671 1.00 0.00 O ATOM 771 OD2 ASP B 24 -4.628 12.489 -7.195 1.00 0.00 O ATOM 0 H ASP B 24 -4.886 7.728 -7.371 1.00 0.00 H new ATOM 0 HA ASP B 24 -3.178 9.168 -5.769 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.749 9.695 -8.121 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -5.365 10.171 -7.638 1.00 0.00 H new ATOM 776 N ASN B 25 -6.337 9.672 -4.965 1.00 0.00 N ATOM 777 CA ASN B 25 -7.206 10.199 -3.919 1.00 0.00 C ATOM 778 C ASN B 25 -6.816 9.623 -2.562 1.00 0.00 C ATOM 779 O ASN B 25 -6.732 10.347 -1.566 1.00 0.00 O ATOM 780 CB ASN B 25 -8.669 9.872 -4.228 1.00 0.00 C ATOM 781 CG ASN B 25 -9.611 10.348 -3.138 1.00 0.00 C ATOM 782 OD1 ASN B 25 -9.694 11.542 -2.851 1.00 0.00 O ATOM 783 ND2 ASN B 25 -10.325 9.412 -2.523 1.00 0.00 N ATOM 0 H ASN B 25 -6.825 9.176 -5.710 1.00 0.00 H new ATOM 0 HA ASN B 25 -7.088 11.282 -3.886 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -8.950 10.334 -5.174 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -8.779 8.795 -4.354 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -10.974 9.672 -1.780 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -10.224 8.434 -2.794 1.00 0.00 H new ATOM 790 N VAL B 26 -6.568 8.316 -2.533 1.00 0.00 N ATOM 791 CA VAL B 26 -6.176 7.639 -1.304 1.00 0.00 C ATOM 792 C VAL B 26 -4.888 8.237 -0.750 1.00 0.00 C ATOM 793 O VAL B 26 -4.775 8.488 0.449 1.00 0.00 O ATOM 794 CB VAL B 26 -5.972 6.128 -1.532 1.00 0.00 C ATOM 795 CG1 VAL B 26 -5.659 5.426 -0.220 1.00 0.00 C ATOM 796 CG2 VAL B 26 -7.197 5.516 -2.196 1.00 0.00 C ATOM 0 H VAL B 26 -6.632 7.706 -3.348 1.00 0.00 H new ATOM 0 HA VAL B 26 -6.985 7.780 -0.587 1.00 0.00 H new ATOM 0 HB VAL B 26 -5.121 5.993 -2.200 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -5.518 4.361 -0.402 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -4.748 5.844 0.208 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -6.486 5.569 0.476 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -7.033 4.449 -2.348 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -8.068 5.662 -1.557 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -7.368 5.998 -3.159 1.00 0.00 H new ATOM 806 N LYS B 27 -3.922 8.467 -1.634 1.00 0.00 N ATOM 807 CA LYS B 27 -2.641 9.042 -1.239 1.00 0.00 C ATOM 808 C LYS B 27 -2.832 10.425 -0.628 1.00 0.00 C ATOM 809 O LYS B 27 -2.164 10.781 0.340 1.00 0.00 O ATOM 810 CB LYS B 27 -1.697 9.127 -2.442 1.00 0.00 C ATOM 811 CG LYS B 27 -1.233 7.772 -2.953 1.00 0.00 C ATOM 812 CD LYS B 27 -0.370 7.056 -1.925 1.00 0.00 C ATOM 813 CE LYS B 27 0.097 5.703 -2.435 1.00 0.00 C ATOM 814 NZ LYS B 27 -1.047 4.807 -2.760 1.00 0.00 N ATOM 0 H LYS B 27 -4.002 8.264 -2.630 1.00 0.00 H new ATOM 0 HA LYS B 27 -2.197 8.390 -0.487 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -2.200 9.657 -3.251 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -0.825 9.720 -2.167 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -2.100 7.157 -3.195 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -0.668 7.904 -3.876 1.00 0.00 H new ATOM 0 HD2 LYS B 27 0.495 7.673 -1.682 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -0.936 6.923 -1.003 1.00 0.00 H new ATOM 0 HE2 LYS B 27 0.712 5.843 -3.324 1.00 0.00 H new ATOM 0 HE3 LYS B 27 0.727 5.229 -1.682 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -0.737 3.816 -2.708 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -1.817 4.966 -2.079 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -1.387 5.013 -3.721 1.00 0.00 H new ATOM 828 N SER B 28 -3.747 11.199 -1.201 1.00 0.00 N ATOM 829 CA SER B 28 -4.024 12.542 -0.708 1.00 0.00 C ATOM 830 C SER B 28 -4.530 12.495 0.730 1.00 0.00 C ATOM 831 O SER B 28 -4.064 13.245 1.588 1.00 0.00 O ATOM 832 CB SER B 28 -5.054 13.235 -1.601 1.00 0.00 C ATOM 833 OG SER B 28 -4.595 13.323 -2.939 1.00 0.00 O ATOM 0 H SER B 28 -4.308 10.920 -2.006 1.00 0.00 H new ATOM 0 HA SER B 28 -3.095 13.111 -0.731 1.00 0.00 H new ATOM 0 HB2 SER B 28 -5.994 12.684 -1.572 1.00 0.00 H new ATOM 0 HB3 SER B 28 -5.258 14.235 -1.217 1.00 0.00 H new ATOM 0 HG SER B 28 -4.531 12.424 -3.323 1.00 0.00 H new ATOM 839 N LYS B 29 -5.489 11.609 0.986 1.00 0.00 N ATOM 840 CA LYS B 29 -6.057 11.468 2.323 1.00 0.00 C ATOM 841 C LYS B 29 -5.006 10.974 3.315 1.00 0.00 C ATOM 842 O LYS B 29 -4.855 11.534 4.404 1.00 0.00 O ATOM 843 CB LYS B 29 -7.250 10.510 2.293 1.00 0.00 C ATOM 844 CG LYS B 29 -8.349 10.944 1.336 1.00 0.00 C ATOM 845 CD LYS B 29 -9.572 10.041 1.423 1.00 0.00 C ATOM 846 CE LYS B 29 -10.364 10.275 2.703 1.00 0.00 C ATOM 847 NZ LYS B 29 -9.596 9.893 3.921 1.00 0.00 N ATOM 0 H LYS B 29 -5.887 10.981 0.288 1.00 0.00 H new ATOM 0 HA LYS B 29 -6.399 12.449 2.652 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -6.902 9.517 2.009 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -7.665 10.427 3.297 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -8.640 11.970 1.560 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -7.965 10.937 0.316 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -10.215 10.218 0.561 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -9.257 8.999 1.377 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -10.644 11.327 2.767 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -11.290 9.701 2.665 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -10.226 9.408 4.591 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -8.818 9.257 3.655 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -9.207 10.748 4.368 1.00 0.00 H new ATOM 861 N ILE B 30 -4.276 9.929 2.931 1.00 0.00 N ATOM 862 CA ILE B 30 -3.234 9.367 3.784 1.00 0.00 C ATOM 863 C ILE B 30 -2.171 10.415 4.092 1.00 0.00 C ATOM 864 O ILE B 30 -1.692 10.515 5.220 1.00 0.00 O ATOM 865 CB ILE B 30 -2.563 8.141 3.129 1.00 0.00 C ATOM 866 CG1 ILE B 30 -3.601 7.051 2.853 1.00 0.00 C ATOM 867 CG2 ILE B 30 -1.450 7.606 4.020 1.00 0.00 C ATOM 868 CD1 ILE B 30 -3.035 5.838 2.145 1.00 0.00 C ATOM 0 H ILE B 30 -4.388 9.455 2.035 1.00 0.00 H new ATOM 0 HA ILE B 30 -3.713 9.048 4.709 1.00 0.00 H new ATOM 0 HB ILE B 30 -2.125 8.449 2.180 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -4.044 6.736 3.798 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -4.405 7.471 2.249 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -0.987 6.742 3.544 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -0.700 8.382 4.171 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -1.865 7.310 4.983 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -3.828 5.108 1.983 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -2.618 6.139 1.184 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -2.251 5.392 2.757 1.00 0.00 H new ATOM 880 N GLN B 31 -1.812 11.198 3.082 1.00 0.00 N ATOM 881 CA GLN B 31 -0.812 12.246 3.244 1.00 0.00 C ATOM 882 C GLN B 31 -1.289 13.284 4.252 1.00 0.00 C ATOM 883 O GLN B 31 -0.517 13.761 5.080 1.00 0.00 O ATOM 884 CB GLN B 31 -0.519 12.919 1.901 1.00 0.00 C ATOM 885 CG GLN B 31 0.453 14.084 2.003 1.00 0.00 C ATOM 886 CD GLN B 31 0.654 14.794 0.678 1.00 0.00 C ATOM 887 OE1 GLN B 31 -0.301 15.272 0.066 1.00 0.00 O ATOM 888 NE2 GLN B 31 1.902 14.873 0.232 1.00 0.00 N ATOM 0 H GLN B 31 -2.199 11.127 2.141 1.00 0.00 H new ATOM 0 HA GLN B 31 0.105 11.789 3.615 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -0.113 12.177 1.213 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -1.455 13.274 1.470 1.00 0.00 H new ATOM 0 HG2 GLN B 31 0.084 14.797 2.740 1.00 0.00 H new ATOM 0 HG3 GLN B 31 1.414 13.720 2.365 1.00 0.00 H new ATOM 0 HE21 GLN B 31 2.664 14.462 0.772 1.00 0.00 H new ATOM 0 HE22 GLN B 31 2.099 15.344 -0.651 1.00 0.00 H new ATOM 897 N ASP B 32 -2.567 13.631 4.172 1.00 0.00 N ATOM 898 CA ASP B 32 -3.149 14.614 5.075 1.00 0.00 C ATOM 899 C ASP B 32 -3.082 14.141 6.527 1.00 0.00 C ATOM 900 O ASP B 32 -2.759 14.917 7.426 1.00 0.00 O ATOM 901 CB ASP B 32 -4.602 14.892 4.684 1.00 0.00 C ATOM 902 CG ASP B 32 -5.259 15.924 5.580 1.00 0.00 C ATOM 903 OD1 ASP B 32 -4.761 17.069 5.630 1.00 0.00 O ATOM 904 OD2 ASP B 32 -6.272 15.589 6.228 1.00 0.00 O ATOM 0 H ASP B 32 -3.220 13.246 3.490 1.00 0.00 H new ATOM 0 HA ASP B 32 -2.570 15.533 4.990 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -4.637 15.238 3.651 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -5.171 13.963 4.728 1.00 0.00 H new ATOM 909 N LYS B 33 -3.405 12.869 6.752 1.00 0.00 N ATOM 910 CA LYS B 33 -3.396 12.305 8.101 1.00 0.00 C ATOM 911 C LYS B 33 -1.986 11.930 8.560 1.00 0.00 C ATOM 912 O LYS B 33 -1.476 12.477 9.538 1.00 0.00 O ATOM 913 CB LYS B 33 -4.297 11.070 8.159 1.00 0.00 C ATOM 914 CG LYS B 33 -4.478 10.512 9.562 1.00 0.00 C ATOM 915 CD LYS B 33 -5.420 9.318 9.572 1.00 0.00 C ATOM 916 CE LYS B 33 -6.822 9.711 9.132 1.00 0.00 C ATOM 917 NZ LYS B 33 -7.410 10.749 10.021 1.00 0.00 N ATOM 0 H LYS B 33 -3.675 12.211 6.021 1.00 0.00 H new ATOM 0 HA LYS B 33 -3.773 13.074 8.775 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -5.275 11.325 7.750 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -3.876 10.294 7.520 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -3.509 10.215 9.964 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -4.870 11.291 10.216 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -5.034 8.543 8.910 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -5.458 8.892 10.574 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -6.790 10.085 8.109 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -7.463 8.829 9.130 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -8.429 10.832 9.831 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -7.264 10.478 11.015 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -6.948 11.663 9.840 1.00 0.00 H new ATOM 931 N GLU B 34 -1.373 10.980 7.861 1.00 0.00 N ATOM 932 CA GLU B 34 -0.033 10.507 8.203 1.00 0.00 C ATOM 933 C GLU B 34 1.033 11.574 7.965 1.00 0.00 C ATOM 934 O GLU B 34 1.952 11.729 8.769 1.00 0.00 O ATOM 935 CB GLU B 34 0.303 9.250 7.398 1.00 0.00 C ATOM 936 CG GLU B 34 -0.628 8.080 7.678 1.00 0.00 C ATOM 937 CD GLU B 34 -0.513 7.561 9.100 1.00 0.00 C ATOM 938 OE1 GLU B 34 0.338 8.076 9.857 1.00 0.00 O ATOM 939 OE2 GLU B 34 -1.269 6.633 9.455 1.00 0.00 O ATOM 0 H GLU B 34 -1.785 10.519 7.049 1.00 0.00 H new ATOM 0 HA GLU B 34 -0.034 10.274 9.268 1.00 0.00 H new ATOM 0 HB2 GLU B 34 0.264 9.488 6.335 1.00 0.00 H new ATOM 0 HB3 GLU B 34 1.327 8.950 7.620 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -1.657 8.388 7.491 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -0.406 7.271 6.982 1.00 0.00 H new ATOM 946 N GLY B 35 0.919 12.297 6.856 1.00 0.00 N ATOM 947 CA GLY B 35 1.898 13.324 6.541 1.00 0.00 C ATOM 948 C GLY B 35 3.105 12.764 5.816 1.00 0.00 C ATOM 949 O GLY B 35 4.244 12.977 6.233 1.00 0.00 O ATOM 0 H GLY B 35 0.170 12.192 6.172 1.00 0.00 H new ATOM 0 HA2 GLY B 35 1.430 14.092 5.925 1.00 0.00 H new ATOM 0 HA3 GLY B 35 2.222 13.808 7.462 1.00 0.00 H new ATOM 953 N ILE B 36 2.853 12.042 4.727 1.00 0.00 N ATOM 954 CA ILE B 36 3.922 11.443 3.937 1.00 0.00 C ATOM 955 C ILE B 36 3.660 11.626 2.441 1.00 0.00 C ATOM 956 O ILE B 36 2.549 11.390 1.967 1.00 0.00 O ATOM 957 CB ILE B 36 4.068 9.937 4.244 1.00 0.00 C ATOM 958 CG1 ILE B 36 4.345 9.725 5.736 1.00 0.00 C ATOM 959 CG2 ILE B 36 5.179 9.326 3.400 1.00 0.00 C ATOM 960 CD1 ILE B 36 4.451 8.268 6.137 1.00 0.00 C ATOM 0 H ILE B 36 1.915 11.858 4.372 1.00 0.00 H new ATOM 0 HA ILE B 36 4.847 11.951 4.208 1.00 0.00 H new ATOM 0 HB ILE B 36 3.133 9.437 3.991 1.00 0.00 H new ATOM 0 HG12 ILE B 36 5.273 10.233 6.000 1.00 0.00 H new ATOM 0 HG13 ILE B 36 3.549 10.194 6.314 1.00 0.00 H new ATOM 0 HG21 ILE B 36 5.268 8.264 3.629 1.00 0.00 H new ATOM 0 HG22 ILE B 36 4.943 9.450 2.343 1.00 0.00 H new ATOM 0 HG23 ILE B 36 6.122 9.826 3.623 1.00 0.00 H new ATOM 0 HD11 ILE B 36 4.648 8.198 7.207 1.00 0.00 H new ATOM 0 HD12 ILE B 36 3.516 7.758 5.906 1.00 0.00 H new ATOM 0 HD13 ILE B 36 5.266 7.798 5.587 1.00 0.00 H new ATOM 972 N PRO B 37 4.682 12.058 1.677 1.00 0.00 N ATOM 973 CA PRO B 37 4.550 12.278 0.230 1.00 0.00 C ATOM 974 C PRO B 37 3.994 11.054 -0.500 1.00 0.00 C ATOM 975 O PRO B 37 4.432 9.929 -0.262 1.00 0.00 O ATOM 976 CB PRO B 37 5.987 12.558 -0.220 1.00 0.00 C ATOM 977 CG PRO B 37 6.671 13.081 0.995 1.00 0.00 C ATOM 978 CD PRO B 37 6.041 12.373 2.161 1.00 0.00 C ATOM 0 HA PRO B 37 3.852 13.084 0.005 1.00 0.00 H new ATOM 0 HB2 PRO B 37 6.470 11.652 -0.587 1.00 0.00 H new ATOM 0 HB3 PRO B 37 6.013 13.285 -1.032 1.00 0.00 H new ATOM 0 HG2 PRO B 37 7.743 12.887 0.953 1.00 0.00 H new ATOM 0 HG3 PRO B 37 6.545 14.160 1.080 1.00 0.00 H new ATOM 0 HD2 PRO B 37 6.591 11.471 2.428 1.00 0.00 H new ATOM 0 HD3 PRO B 37 6.015 13.005 3.049 1.00 0.00 H new ATOM 986 N PRO B 38 3.016 11.259 -1.405 1.00 0.00 N ATOM 987 CA PRO B 38 2.403 10.167 -2.171 1.00 0.00 C ATOM 988 C PRO B 38 3.420 9.422 -3.026 1.00 0.00 C ATOM 989 O PRO B 38 3.418 8.192 -3.083 1.00 0.00 O ATOM 990 CB PRO B 38 1.376 10.874 -3.064 1.00 0.00 C ATOM 991 CG PRO B 38 1.137 12.193 -2.413 1.00 0.00 C ATOM 992 CD PRO B 38 2.432 12.566 -1.754 1.00 0.00 C ATOM 0 HA PRO B 38 1.965 9.413 -1.516 1.00 0.00 H new ATOM 0 HB2 PRO B 38 1.755 10.998 -4.078 1.00 0.00 H new ATOM 0 HB3 PRO B 38 0.454 10.298 -3.137 1.00 0.00 H new ATOM 0 HG2 PRO B 38 0.842 12.943 -3.147 1.00 0.00 H new ATOM 0 HG3 PRO B 38 0.331 12.128 -1.682 1.00 0.00 H new ATOM 0 HD2 PRO B 38 3.079 13.130 -2.426 1.00 0.00 H new ATOM 0 HD3 PRO B 38 2.272 13.185 -0.871 1.00 0.00 H new ATOM 1000 N ASP B 39 4.286 10.177 -3.694 1.00 0.00 N ATOM 1001 CA ASP B 39 5.310 9.593 -4.552 1.00 0.00 C ATOM 1002 C ASP B 39 6.246 8.691 -3.753 1.00 0.00 C ATOM 1003 O ASP B 39 6.602 7.600 -4.200 1.00 0.00 O ATOM 1004 CB ASP B 39 6.113 10.695 -5.247 1.00 0.00 C ATOM 1005 CG ASP B 39 6.803 11.619 -4.262 1.00 0.00 C ATOM 1006 OD1 ASP B 39 6.098 12.257 -3.452 1.00 0.00 O ATOM 1007 OD2 ASP B 39 8.048 11.707 -4.303 1.00 0.00 O ATOM 0 H ASP B 39 4.299 11.196 -3.657 1.00 0.00 H new ATOM 0 HA ASP B 39 4.810 8.986 -5.307 1.00 0.00 H new ATOM 0 HB2 ASP B 39 6.860 10.241 -5.898 1.00 0.00 H new ATOM 0 HB3 ASP B 39 5.448 11.279 -5.883 1.00 0.00 H new ATOM 1012 N GLN B 40 6.646 9.156 -2.574 1.00 0.00 N ATOM 1013 CA GLN B 40 7.547 8.393 -1.717 1.00 0.00 C ATOM 1014 C GLN B 40 6.919 7.068 -1.289 1.00 0.00 C ATOM 1015 O GLN B 40 7.401 5.997 -1.657 1.00 0.00 O ATOM 1016 CB GLN B 40 7.923 9.217 -0.482 1.00 0.00 C ATOM 1017 CG GLN B 40 8.824 8.478 0.495 1.00 0.00 C ATOM 1018 CD GLN B 40 9.156 9.303 1.723 1.00 0.00 C ATOM 1019 OE1 GLN B 40 8.266 9.712 2.469 1.00 0.00 O ATOM 1020 NE2 GLN B 40 10.442 9.552 1.939 1.00 0.00 N ATOM 0 H GLN B 40 6.361 10.057 -2.190 1.00 0.00 H new ATOM 0 HA GLN B 40 8.447 8.171 -2.290 1.00 0.00 H new ATOM 0 HB2 GLN B 40 8.423 10.130 -0.804 1.00 0.00 H new ATOM 0 HB3 GLN B 40 7.011 9.518 0.034 1.00 0.00 H new ATOM 0 HG2 GLN B 40 8.337 7.553 0.804 1.00 0.00 H new ATOM 0 HG3 GLN B 40 9.748 8.198 -0.010 1.00 0.00 H new ATOM 0 HE21 GLN B 40 11.146 9.193 1.294 1.00 0.00 H new ATOM 0 HE22 GLN B 40 10.726 10.102 2.750 1.00 0.00 H new ATOM 1029 N GLN B 41 5.845 7.145 -0.509 1.00 0.00 N ATOM 1030 CA GLN B 41 5.162 5.947 -0.031 1.00 0.00 C ATOM 1031 C GLN B 41 4.524 5.180 -1.183 1.00 0.00 C ATOM 1032 O GLN B 41 4.034 5.774 -2.143 1.00 0.00 O ATOM 1033 CB GLN B 41 4.099 6.312 1.008 1.00 0.00 C ATOM 1034 CG GLN B 41 2.976 7.177 0.459 1.00 0.00 C ATOM 1035 CD GLN B 41 1.949 7.534 1.516 1.00 0.00 C ATOM 1036 OE1 GLN B 41 2.270 8.167 2.521 1.00 0.00 O ATOM 1037 NE2 GLN B 41 0.705 7.124 1.295 1.00 0.00 N ATOM 0 H GLN B 41 5.429 8.022 -0.195 1.00 0.00 H new ATOM 0 HA GLN B 41 5.908 5.304 0.437 1.00 0.00 H new ATOM 0 HB2 GLN B 41 3.673 5.395 1.416 1.00 0.00 H new ATOM 0 HB3 GLN B 41 4.578 6.836 1.835 1.00 0.00 H new ATOM 0 HG2 GLN B 41 3.397 8.092 0.042 1.00 0.00 H new ATOM 0 HG3 GLN B 41 2.483 6.651 -0.359 1.00 0.00 H new ATOM 0 HE21 GLN B 41 0.483 6.602 0.448 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -0.028 7.332 1.973 1.00 0.00 H new ATOM 1046 N ARG B 42 4.534 3.855 -1.081 1.00 0.00 N ATOM 1047 CA ARG B 42 3.956 3.007 -2.116 1.00 0.00 C ATOM 1048 C ARG B 42 3.184 1.846 -1.498 1.00 0.00 C ATOM 1049 O ARG B 42 3.708 1.112 -0.659 1.00 0.00 O ATOM 1050 CB ARG B 42 5.055 2.475 -3.037 1.00 0.00 C ATOM 1051 CG ARG B 42 4.542 1.553 -4.132 1.00 0.00 C ATOM 1052 CD ARG B 42 5.666 1.095 -5.048 1.00 0.00 C ATOM 1053 NE ARG B 42 6.333 2.217 -5.705 1.00 0.00 N ATOM 1054 CZ ARG B 42 5.735 3.030 -6.572 1.00 0.00 C ATOM 1055 NH1 ARG B 42 4.469 2.830 -6.913 1.00 0.00 N ATOM 1056 NH2 ARG B 42 6.407 4.042 -7.105 1.00 0.00 N ATOM 0 H ARG B 42 4.935 3.346 -0.293 1.00 0.00 H new ATOM 0 HA ARG B 42 3.261 3.609 -2.702 1.00 0.00 H new ATOM 0 HB2 ARG B 42 5.571 3.318 -3.496 1.00 0.00 H new ATOM 0 HB3 ARG B 42 5.791 1.939 -2.438 1.00 0.00 H new ATOM 0 HG2 ARG B 42 4.061 0.684 -3.682 1.00 0.00 H new ATOM 0 HG3 ARG B 42 3.782 2.070 -4.718 1.00 0.00 H new ATOM 0 HD2 ARG B 42 6.396 0.528 -4.470 1.00 0.00 H new ATOM 0 HD3 ARG B 42 5.265 0.420 -5.804 1.00 0.00 H new ATOM 0 HE ARG B 42 7.315 2.387 -5.486 1.00 0.00 H new ATOM 0 HH11 ARG B 42 3.949 2.050 -6.510 1.00 0.00 H new ATOM 0 HH12 ARG B 42 4.015 3.456 -7.578 1.00 0.00 H new ATOM 0 HH21 ARG B 42 7.382 4.197 -6.850 1.00 0.00 H new ATOM 0 HH22 ARG B 42 5.948 4.665 -7.770 1.00 0.00 H new ATOM 1070 N LEU B 43 1.932 1.691 -1.923 1.00 0.00 N ATOM 1071 CA LEU B 43 1.074 0.623 -1.421 1.00 0.00 C ATOM 1072 C LEU B 43 1.288 -0.671 -2.201 1.00 0.00 C ATOM 1073 O LEU B 43 1.505 -0.651 -3.413 1.00 0.00 O ATOM 1074 CB LEU B 43 -0.397 1.042 -1.489 1.00 0.00 C ATOM 1075 CG LEU B 43 -0.786 2.206 -0.572 1.00 0.00 C ATOM 1076 CD1 LEU B 43 -2.258 2.551 -0.742 1.00 0.00 C ATOM 1077 CD2 LEU B 43 -0.484 1.867 0.881 1.00 0.00 C ATOM 0 H LEU B 43 1.489 2.294 -2.616 1.00 0.00 H new ATOM 0 HA LEU B 43 1.343 0.441 -0.381 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -0.633 1.316 -2.517 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -1.016 0.180 -1.238 1.00 0.00 H new ATOM 0 HG LEU B 43 -0.193 3.076 -0.853 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -2.516 3.380 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -2.447 2.838 -1.776 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -2.867 1.683 -0.489 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -0.767 2.706 1.517 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -1.050 0.983 1.174 1.00 0.00 H new ATOM 0 HD23 LEU B 43 0.582 1.669 0.995 1.00 0.00 H new ATOM 1089 N ILE B 44 1.221 -1.796 -1.494 1.00 0.00 N ATOM 1090 CA ILE B 44 1.400 -3.105 -2.109 1.00 0.00 C ATOM 1091 C ILE B 44 0.346 -4.082 -1.599 1.00 0.00 C ATOM 1092 O ILE B 44 0.008 -4.084 -0.414 1.00 0.00 O ATOM 1093 CB ILE B 44 2.801 -3.685 -1.826 1.00 0.00 C ATOM 1094 CG1 ILE B 44 3.887 -2.700 -2.268 1.00 0.00 C ATOM 1095 CG2 ILE B 44 2.970 -5.021 -2.536 1.00 0.00 C ATOM 1096 CD1 ILE B 44 5.295 -3.178 -1.987 1.00 0.00 C ATOM 0 H ILE B 44 1.043 -1.825 -0.490 1.00 0.00 H new ATOM 0 HA ILE B 44 1.292 -2.969 -3.185 1.00 0.00 H new ATOM 0 HB ILE B 44 2.902 -3.847 -0.753 1.00 0.00 H new ATOM 0 HG12 ILE B 44 3.783 -2.514 -3.337 1.00 0.00 H new ATOM 0 HG13 ILE B 44 3.729 -1.748 -1.762 1.00 0.00 H new ATOM 0 HG21 ILE B 44 3.963 -5.420 -2.329 1.00 0.00 H new ATOM 0 HG22 ILE B 44 2.215 -5.721 -2.178 1.00 0.00 H new ATOM 0 HG23 ILE B 44 2.853 -4.879 -3.610 1.00 0.00 H new ATOM 0 HD11 ILE B 44 6.009 -2.428 -2.328 1.00 0.00 H new ATOM 0 HD12 ILE B 44 5.418 -3.336 -0.916 1.00 0.00 H new ATOM 0 HD13 ILE B 44 5.473 -4.115 -2.515 1.00 0.00 H new ATOM 1108 N PHE B 45 -0.172 -4.905 -2.504 1.00 0.00 N ATOM 1109 CA PHE B 45 -1.195 -5.882 -2.154 1.00 0.00 C ATOM 1110 C PHE B 45 -1.285 -6.966 -3.220 1.00 0.00 C ATOM 1111 O PHE B 45 -1.038 -6.709 -4.400 1.00 0.00 O ATOM 1112 CB PHE B 45 -2.553 -5.192 -1.994 1.00 0.00 C ATOM 1113 CG PHE B 45 -3.648 -6.102 -1.510 1.00 0.00 C ATOM 1114 CD1 PHE B 45 -3.507 -6.815 -0.329 1.00 0.00 C ATOM 1115 CD2 PHE B 45 -4.821 -6.242 -2.235 1.00 0.00 C ATOM 1116 CE1 PHE B 45 -4.514 -7.648 0.119 1.00 0.00 C ATOM 1117 CE2 PHE B 45 -5.831 -7.075 -1.792 1.00 0.00 C ATOM 1118 CZ PHE B 45 -5.678 -7.778 -0.613 1.00 0.00 C ATOM 0 H PHE B 45 0.101 -4.914 -3.487 1.00 0.00 H new ATOM 0 HA PHE B 45 -0.919 -6.346 -1.207 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -2.448 -4.363 -1.294 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -2.847 -4.764 -2.953 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -2.599 -6.718 0.248 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -4.947 -5.694 -3.157 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.391 -8.197 1.041 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -6.739 -7.176 -2.367 1.00 0.00 H new ATOM 0 HZ PHE B 45 -6.467 -8.428 -0.264 1.00 0.00 H new ATOM 1128 N ALA B 46 -1.627 -8.179 -2.795 1.00 0.00 N ATOM 1129 CA ALA B 46 -1.743 -9.306 -3.712 1.00 0.00 C ATOM 1130 C ALA B 46 -0.482 -9.446 -4.557 1.00 0.00 C ATOM 1131 O ALA B 46 -0.545 -9.793 -5.737 1.00 0.00 O ATOM 1132 CB ALA B 46 -2.967 -9.140 -4.600 1.00 0.00 C ATOM 0 H ALA B 46 -1.828 -8.406 -1.821 1.00 0.00 H new ATOM 0 HA ALA B 46 -1.861 -10.217 -3.125 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -3.041 -9.989 -5.280 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -3.862 -9.092 -3.980 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.876 -8.220 -5.177 1.00 0.00 H new ATOM 1138 N GLY B 47 0.661 -9.169 -3.940 1.00 0.00 N ATOM 1139 CA GLY B 47 1.929 -9.262 -4.637 1.00 0.00 C ATOM 1140 C GLY B 47 2.014 -8.329 -5.828 1.00 0.00 C ATOM 1141 O GLY B 47 2.540 -8.703 -6.877 1.00 0.00 O ATOM 0 H GLY B 47 0.731 -8.880 -2.964 1.00 0.00 H new ATOM 0 HA2 GLY B 47 2.738 -9.033 -3.943 1.00 0.00 H new ATOM 0 HA3 GLY B 47 2.079 -10.288 -4.973 1.00 0.00 H new ATOM 1145 N LYS B 48 1.496 -7.112 -5.672 1.00 0.00 N ATOM 1146 CA LYS B 48 1.521 -6.133 -6.751 1.00 0.00 C ATOM 1147 C LYS B 48 1.225 -4.732 -6.227 1.00 0.00 C ATOM 1148 O LYS B 48 0.257 -4.528 -5.493 1.00 0.00 O ATOM 1149 CB LYS B 48 0.494 -6.508 -7.820 1.00 0.00 C ATOM 1150 CG LYS B 48 0.456 -5.543 -8.991 1.00 0.00 C ATOM 1151 CD LYS B 48 -0.620 -5.915 -10.001 1.00 0.00 C ATOM 1152 CE LYS B 48 -2.021 -5.666 -9.458 1.00 0.00 C ATOM 1153 NZ LYS B 48 -2.361 -6.577 -8.331 1.00 0.00 N ATOM 0 H LYS B 48 1.056 -6.784 -4.812 1.00 0.00 H new ATOM 0 HA LYS B 48 2.520 -6.135 -7.187 1.00 0.00 H new ATOM 0 HB2 LYS B 48 0.717 -7.508 -8.191 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -0.495 -6.551 -7.363 1.00 0.00 H new ATOM 0 HG2 LYS B 48 0.274 -4.533 -8.623 1.00 0.00 H new ATOM 0 HG3 LYS B 48 1.428 -5.533 -9.484 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -0.477 -5.336 -10.914 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -0.517 -6.966 -10.270 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -2.100 -4.632 -9.123 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -2.748 -5.797 -10.260 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -3.371 -6.820 -8.373 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -1.793 -7.445 -8.403 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -2.156 -6.103 -7.428 1.00 0.00 H new ATOM 1167 N GLN B 49 2.056 -3.767 -6.613 1.00 0.00 N ATOM 1168 CA GLN B 49 1.866 -2.388 -6.182 1.00 0.00 C ATOM 1169 C GLN B 49 0.548 -1.846 -6.724 1.00 0.00 C ATOM 1170 O GLN B 49 0.212 -2.055 -7.890 1.00 0.00 O ATOM 1171 CB GLN B 49 3.033 -1.500 -6.636 1.00 0.00 C ATOM 1172 CG GLN B 49 3.065 -1.202 -8.130 1.00 0.00 C ATOM 1173 CD GLN B 49 3.353 -2.422 -8.984 1.00 0.00 C ATOM 1174 OE1 GLN B 49 2.539 -3.340 -9.077 1.00 0.00 O ATOM 1175 NE2 GLN B 49 4.522 -2.437 -9.614 1.00 0.00 N ATOM 0 H GLN B 49 2.862 -3.915 -7.220 1.00 0.00 H new ATOM 0 HA GLN B 49 1.836 -2.374 -5.093 1.00 0.00 H new ATOM 0 HB2 GLN B 49 2.986 -0.556 -6.092 1.00 0.00 H new ATOM 0 HB3 GLN B 49 3.969 -1.983 -6.356 1.00 0.00 H new ATOM 0 HG2 GLN B 49 2.106 -0.777 -8.428 1.00 0.00 H new ATOM 0 HG3 GLN B 49 3.824 -0.444 -8.325 1.00 0.00 H new ATOM 0 HE21 GLN B 49 5.168 -1.655 -9.509 1.00 0.00 H new ATOM 0 HE22 GLN B 49 4.774 -3.231 -10.203 1.00 0.00 H new ATOM 1184 N LEU B 50 -0.203 -1.163 -5.868 1.00 0.00 N ATOM 1185 CA LEU B 50 -1.493 -0.605 -6.261 1.00 0.00 C ATOM 1186 C LEU B 50 -1.329 0.663 -7.094 1.00 0.00 C ATOM 1187 O LEU B 50 -2.183 1.549 -7.054 1.00 0.00 O ATOM 1188 CB LEU B 50 -2.345 -0.313 -5.022 1.00 0.00 C ATOM 1189 CG LEU B 50 -2.896 -1.545 -4.296 1.00 0.00 C ATOM 1190 CD1 LEU B 50 -1.769 -2.437 -3.796 1.00 0.00 C ATOM 1191 CD2 LEU B 50 -3.789 -1.122 -3.140 1.00 0.00 C ATOM 0 H LEU B 50 0.058 -0.982 -4.899 1.00 0.00 H new ATOM 0 HA LEU B 50 -1.998 -1.347 -6.879 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -1.746 0.264 -4.318 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -3.183 0.317 -5.319 1.00 0.00 H new ATOM 0 HG LEU B 50 -3.490 -2.119 -5.008 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -2.190 -3.303 -3.285 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -1.167 -2.771 -4.641 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -1.141 -1.876 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -4.173 -2.008 -2.634 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -3.213 -0.523 -2.435 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -4.622 -0.532 -3.521 1.00 0.00 H new ATOM 1203 N GLU B 51 -0.244 0.735 -7.864 1.00 0.00 N ATOM 1204 CA GLU B 51 0.018 1.883 -8.723 1.00 0.00 C ATOM 1205 C GLU B 51 -0.277 3.195 -7.998 1.00 0.00 C ATOM 1206 O GLU B 51 -0.108 3.296 -6.783 1.00 0.00 O ATOM 1207 CB GLU B 51 -0.823 1.755 -9.993 1.00 0.00 C ATOM 1208 CG GLU B 51 -0.538 0.485 -10.779 1.00 0.00 C ATOM 1209 CD GLU B 51 -1.384 0.369 -12.031 1.00 0.00 C ATOM 1210 OE1 GLU B 51 -1.286 1.262 -12.900 1.00 0.00 O ATOM 1211 OE2 GLU B 51 -2.144 -0.616 -12.145 1.00 0.00 O ATOM 0 H GLU B 51 0.469 0.007 -7.909 1.00 0.00 H new ATOM 0 HA GLU B 51 1.075 1.897 -8.990 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -1.879 1.778 -9.725 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -0.637 2.618 -10.632 1.00 0.00 H new ATOM 0 HG2 GLU B 51 0.516 0.462 -11.055 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -0.720 -0.380 -10.141 1.00 0.00 H new ATOM 1218 N ASP B 52 -0.718 4.192 -8.751 1.00 0.00 N ATOM 1219 CA ASP B 52 -1.040 5.498 -8.189 1.00 0.00 C ATOM 1220 C ASP B 52 -1.954 6.274 -9.134 1.00 0.00 C ATOM 1221 O ASP B 52 -1.741 7.460 -9.393 1.00 0.00 O ATOM 1222 CB ASP B 52 0.245 6.290 -7.924 1.00 0.00 C ATOM 1223 CG ASP B 52 -0.005 7.581 -7.165 1.00 0.00 C ATOM 1224 OD1 ASP B 52 -1.171 7.843 -6.802 1.00 0.00 O ATOM 1225 OD2 ASP B 52 0.969 8.327 -6.929 1.00 0.00 O ATOM 0 H ASP B 52 -0.862 4.122 -9.758 1.00 0.00 H new ATOM 0 HA ASP B 52 -1.563 5.351 -7.244 1.00 0.00 H new ATOM 0 HB2 ASP B 52 0.939 5.669 -7.357 1.00 0.00 H new ATOM 0 HB3 ASP B 52 0.727 6.520 -8.874 1.00 0.00 H new ATOM 1230 N GLY B 53 -2.972 5.592 -9.650 1.00 0.00 N ATOM 1231 CA GLY B 53 -3.906 6.225 -10.563 1.00 0.00 C ATOM 1232 C GLY B 53 -4.895 5.241 -11.157 1.00 0.00 C ATOM 1233 O GLY B 53 -5.112 5.227 -12.369 1.00 0.00 O ATOM 0 H GLY B 53 -3.167 4.611 -9.452 1.00 0.00 H new ATOM 0 HA2 GLY B 53 -4.450 7.008 -10.036 1.00 0.00 H new ATOM 0 HA3 GLY B 53 -3.352 6.708 -11.367 1.00 0.00 H new ATOM 1237 N ARG B 54 -5.495 4.415 -10.303 1.00 0.00 N ATOM 1238 CA ARG B 54 -6.465 3.420 -10.747 1.00 0.00 C ATOM 1239 C ARG B 54 -7.560 3.215 -9.702 1.00 0.00 C ATOM 1240 O ARG B 54 -7.292 3.196 -8.501 1.00 0.00 O ATOM 1241 CB ARG B 54 -5.768 2.088 -11.037 1.00 0.00 C ATOM 1242 CG ARG B 54 -4.863 2.119 -12.261 1.00 0.00 C ATOM 1243 CD ARG B 54 -5.645 2.438 -13.527 1.00 0.00 C ATOM 1244 NE ARG B 54 -4.792 2.439 -14.714 1.00 0.00 N ATOM 1245 CZ ARG B 54 -5.234 2.703 -15.941 1.00 0.00 C ATOM 1246 NH1 ARG B 54 -6.514 2.988 -16.143 1.00 0.00 N ATOM 1247 NH2 ARG B 54 -4.395 2.683 -16.968 1.00 0.00 N ATOM 0 H ARG B 54 -5.325 4.416 -9.297 1.00 0.00 H new ATOM 0 HA ARG B 54 -6.927 3.789 -11.663 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -5.177 1.802 -10.167 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -6.525 1.316 -11.176 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -4.081 2.865 -12.118 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -4.367 1.155 -12.372 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -6.442 1.706 -13.654 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -6.121 3.413 -13.423 1.00 0.00 H new ATOM 0 HE ARG B 54 -3.802 2.225 -14.595 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -7.163 3.005 -15.356 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -6.849 3.190 -17.085 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -3.410 2.465 -16.818 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -4.735 2.885 -17.908 1.00 0.00 H new ATOM 1261 N THR B 55 -8.795 3.069 -10.175 1.00 0.00 N ATOM 1262 CA THR B 55 -9.942 2.872 -9.294 1.00 0.00 C ATOM 1263 C THR B 55 -9.791 1.610 -8.449 1.00 0.00 C ATOM 1264 O THR B 55 -9.368 0.566 -8.944 1.00 0.00 O ATOM 1265 CB THR B 55 -11.252 2.783 -10.098 1.00 0.00 C ATOM 1266 OG1 THR B 55 -11.201 1.670 -10.998 1.00 0.00 O ATOM 1267 CG2 THR B 55 -11.490 4.063 -10.884 1.00 0.00 C ATOM 0 H THR B 55 -9.027 3.084 -11.168 1.00 0.00 H new ATOM 0 HA THR B 55 -9.981 3.738 -8.633 1.00 0.00 H new ATOM 0 HB THR B 55 -12.074 2.645 -9.396 1.00 0.00 H new ATOM 0 HG1 THR B 55 -12.039 1.620 -11.504 1.00 0.00 H new ATOM 0 HG21 THR B 55 -12.421 3.978 -11.445 1.00 0.00 H new ATOM 0 HG22 THR B 55 -11.557 4.906 -10.196 1.00 0.00 H new ATOM 0 HG23 THR B 55 -10.663 4.224 -11.576 1.00 0.00 H new ATOM 1275 N LEU B 56 -10.144 1.719 -7.170 1.00 0.00 N ATOM 1276 CA LEU B 56 -10.054 0.592 -6.246 1.00 0.00 C ATOM 1277 C LEU B 56 -10.985 -0.542 -6.666 1.00 0.00 C ATOM 1278 O LEU B 56 -10.658 -1.718 -6.506 1.00 0.00 O ATOM 1279 CB LEU B 56 -10.402 1.040 -4.823 1.00 0.00 C ATOM 1280 CG LEU B 56 -9.513 2.145 -4.245 1.00 0.00 C ATOM 1281 CD1 LEU B 56 -9.969 2.514 -2.843 1.00 0.00 C ATOM 1282 CD2 LEU B 56 -8.055 1.710 -4.231 1.00 0.00 C ATOM 0 H LEU B 56 -10.496 2.579 -6.750 1.00 0.00 H new ATOM 0 HA LEU B 56 -9.028 0.225 -6.270 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -11.436 1.386 -4.812 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -10.349 0.173 -4.164 1.00 0.00 H new ATOM 0 HG LEU B 56 -9.602 3.025 -4.883 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -9.327 3.301 -2.447 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -10.999 2.869 -2.877 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -9.909 1.637 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -7.441 2.509 -3.817 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -7.948 0.815 -3.618 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -7.730 1.493 -5.249 1.00 0.00 H new ATOM 1294 N SER B 57 -12.151 -0.177 -7.193 1.00 0.00 N ATOM 1295 CA SER B 57 -13.143 -1.157 -7.627 1.00 0.00 C ATOM 1296 C SER B 57 -12.530 -2.194 -8.563 1.00 0.00 C ATOM 1297 O SER B 57 -12.830 -3.384 -8.464 1.00 0.00 O ATOM 1298 CB SER B 57 -14.310 -0.455 -8.323 1.00 0.00 C ATOM 1299 OG SER B 57 -13.868 0.263 -9.462 1.00 0.00 O ATOM 0 H SER B 57 -12.433 0.794 -7.330 1.00 0.00 H new ATOM 0 HA SER B 57 -13.509 -1.675 -6.740 1.00 0.00 H new ATOM 0 HB2 SER B 57 -15.056 -1.192 -8.621 1.00 0.00 H new ATOM 0 HB3 SER B 57 -14.796 0.227 -7.626 1.00 0.00 H new ATOM 0 HG SER B 57 -14.633 0.701 -9.890 1.00 0.00 H new ATOM 1305 N ASP B 58 -11.673 -1.737 -9.470 1.00 0.00 N ATOM 1306 CA ASP B 58 -11.020 -2.627 -10.424 1.00 0.00 C ATOM 1307 C ASP B 58 -10.233 -3.717 -9.703 1.00 0.00 C ATOM 1308 O ASP B 58 -10.295 -4.890 -10.072 1.00 0.00 O ATOM 1309 CB ASP B 58 -10.087 -1.828 -11.337 1.00 0.00 C ATOM 1310 CG ASP B 58 -9.430 -2.688 -12.400 1.00 0.00 C ATOM 1311 OD1 ASP B 58 -8.675 -3.614 -12.034 1.00 0.00 O ATOM 1312 OD2 ASP B 58 -9.671 -2.435 -13.599 1.00 0.00 O ATOM 0 H ASP B 58 -11.414 -0.755 -9.565 1.00 0.00 H new ATOM 0 HA ASP B 58 -11.793 -3.103 -11.028 1.00 0.00 H new ATOM 0 HB2 ASP B 58 -10.652 -1.031 -11.819 1.00 0.00 H new ATOM 0 HB3 ASP B 58 -9.315 -1.351 -10.733 1.00 0.00 H new ATOM 1317 N TYR B 59 -9.490 -3.319 -8.676 1.00 0.00 N ATOM 1318 CA TYR B 59 -8.684 -4.256 -7.900 1.00 0.00 C ATOM 1319 C TYR B 59 -9.560 -5.159 -7.037 1.00 0.00 C ATOM 1320 O TYR B 59 -9.170 -6.279 -6.706 1.00 0.00 O ATOM 1321 CB TYR B 59 -7.685 -3.505 -7.014 1.00 0.00 C ATOM 1322 CG TYR B 59 -6.662 -2.696 -7.783 1.00 0.00 C ATOM 1323 CD1 TYR B 59 -7.050 -1.681 -8.650 1.00 0.00 C ATOM 1324 CD2 TYR B 59 -5.303 -2.945 -7.635 1.00 0.00 C ATOM 1325 CE1 TYR B 59 -6.116 -0.941 -9.347 1.00 0.00 C ATOM 1326 CE2 TYR B 59 -4.362 -2.208 -8.328 1.00 0.00 C ATOM 1327 CZ TYR B 59 -4.773 -1.208 -9.183 1.00 0.00 C ATOM 1328 OH TYR B 59 -3.840 -0.471 -9.874 1.00 0.00 O ATOM 0 H TYR B 59 -9.429 -2.351 -8.360 1.00 0.00 H new ATOM 0 HA TYR B 59 -8.136 -4.880 -8.607 1.00 0.00 H new ATOM 0 HB2 TYR B 59 -8.235 -2.838 -6.350 1.00 0.00 H new ATOM 0 HB3 TYR B 59 -7.163 -4.224 -6.383 1.00 0.00 H new ATOM 0 HD1 TYR B 59 -8.101 -1.468 -8.781 1.00 0.00 H new ATOM 0 HD2 TYR B 59 -4.977 -3.728 -6.967 1.00 0.00 H new ATOM 0 HE1 TYR B 59 -6.435 -0.157 -10.017 1.00 0.00 H new ATOM 0 HE2 TYR B 59 -3.310 -2.414 -8.200 1.00 0.00 H new ATOM 0 HH TYR B 59 -3.517 -0.989 -10.641 1.00 0.00 H new ATOM 1338 N ASN B 60 -10.735 -4.656 -6.660 1.00 0.00 N ATOM 1339 CA ASN B 60 -11.659 -5.409 -5.816 1.00 0.00 C ATOM 1340 C ASN B 60 -11.045 -5.647 -4.440 1.00 0.00 C ATOM 1341 O ASN B 60 -11.105 -6.752 -3.901 1.00 0.00 O ATOM 1342 CB ASN B 60 -12.029 -6.746 -6.469 1.00 0.00 C ATOM 1343 CG ASN B 60 -12.789 -6.569 -7.769 1.00 0.00 C ATOM 1344 OD1 ASN B 60 -12.284 -5.978 -8.722 1.00 0.00 O ATOM 1345 ND2 ASN B 60 -14.013 -7.083 -7.812 1.00 0.00 N ATOM 0 H ASN B 60 -11.069 -3.730 -6.926 1.00 0.00 H new ATOM 0 HA ASN B 60 -12.570 -4.821 -5.699 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -11.120 -7.317 -6.658 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -12.634 -7.330 -5.775 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -14.574 -6.995 -8.660 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -14.392 -7.566 -6.997 1.00 0.00 H new ATOM 1352 N ILE B 61 -10.449 -4.596 -3.883 1.00 0.00 N ATOM 1353 CA ILE B 61 -9.811 -4.673 -2.573 1.00 0.00 C ATOM 1354 C ILE B 61 -10.808 -5.082 -1.493 1.00 0.00 C ATOM 1355 O ILE B 61 -11.928 -4.573 -1.440 1.00 0.00 O ATOM 1356 CB ILE B 61 -9.172 -3.326 -2.186 1.00 0.00 C ATOM 1357 CG1 ILE B 61 -8.166 -2.890 -3.255 1.00 0.00 C ATOM 1358 CG2 ILE B 61 -8.497 -3.430 -0.826 1.00 0.00 C ATOM 1359 CD1 ILE B 61 -7.535 -1.541 -2.982 1.00 0.00 C ATOM 0 H ILE B 61 -10.395 -3.677 -4.322 1.00 0.00 H new ATOM 0 HA ILE B 61 -9.032 -5.432 -2.644 1.00 0.00 H new ATOM 0 HB ILE B 61 -9.957 -2.572 -2.122 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -7.379 -3.641 -3.329 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -8.668 -2.858 -4.222 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -8.050 -2.470 -0.567 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -9.237 -3.701 -0.073 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -7.720 -4.193 -0.863 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -6.834 -1.299 -3.781 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -8.312 -0.778 -2.938 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -7.004 -1.574 -2.031 1.00 0.00 H new ATOM 1371 N GLN B 62 -10.387 -6.005 -0.633 1.00 0.00 N ATOM 1372 CA GLN B 62 -11.233 -6.490 0.453 1.00 0.00 C ATOM 1373 C GLN B 62 -11.457 -5.402 1.501 1.00 0.00 C ATOM 1374 O GLN B 62 -10.557 -4.616 1.794 1.00 0.00 O ATOM 1375 CB GLN B 62 -10.597 -7.719 1.106 1.00 0.00 C ATOM 1376 CG GLN B 62 -10.319 -8.856 0.133 1.00 0.00 C ATOM 1377 CD GLN B 62 -11.578 -9.399 -0.517 1.00 0.00 C ATOM 1378 OE1 GLN B 62 -12.299 -8.677 -1.206 1.00 0.00 O ATOM 1379 NE2 GLN B 62 -11.848 -10.681 -0.302 1.00 0.00 N ATOM 0 H GLN B 62 -9.462 -6.433 -0.668 1.00 0.00 H new ATOM 0 HA GLN B 62 -12.200 -6.765 0.032 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -9.662 -7.423 1.582 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -11.256 -8.081 1.895 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -9.638 -8.505 -0.643 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -9.812 -9.663 0.661 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -11.224 -11.244 0.276 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -12.680 -11.103 -0.715 1.00 0.00 H new ATOM 1388 N LYS B 63 -12.663 -5.362 2.062 1.00 0.00 N ATOM 1389 CA LYS B 63 -13.007 -4.376 3.075 1.00 0.00 C ATOM 1390 C LYS B 63 -12.126 -4.532 4.315 1.00 0.00 C ATOM 1391 O LYS B 63 -11.905 -5.644 4.795 1.00 0.00 O ATOM 1392 CB LYS B 63 -14.482 -4.515 3.453 1.00 0.00 C ATOM 1393 CG LYS B 63 -14.940 -3.490 4.469 1.00 0.00 C ATOM 1394 CD LYS B 63 -16.419 -3.639 4.792 1.00 0.00 C ATOM 1395 CE LYS B 63 -16.875 -2.603 5.808 1.00 0.00 C ATOM 1396 NZ LYS B 63 -16.637 -1.212 5.330 1.00 0.00 N ATOM 0 H LYS B 63 -13.419 -6.005 1.829 1.00 0.00 H new ATOM 0 HA LYS B 63 -12.833 -3.382 2.662 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -15.091 -4.422 2.554 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -14.655 -5.514 3.852 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -14.355 -3.597 5.383 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -14.751 -2.488 4.085 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -17.004 -3.536 3.878 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -16.609 -4.639 5.181 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -17.937 -2.739 6.014 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -16.346 -2.759 6.748 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -17.152 -0.543 5.938 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -15.619 -1.001 5.368 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -16.973 -1.119 4.350 1.00 0.00 H new ATOM 1410 N GLU B 64 -11.629 -3.406 4.824 1.00 0.00 N ATOM 1411 CA GLU B 64 -10.771 -3.401 6.009 1.00 0.00 C ATOM 1412 C GLU B 64 -9.528 -4.262 5.798 1.00 0.00 C ATOM 1413 O GLU B 64 -9.082 -4.959 6.709 1.00 0.00 O ATOM 1414 CB GLU B 64 -11.546 -3.891 7.234 1.00 0.00 C ATOM 1415 CG GLU B 64 -12.724 -3.004 7.602 1.00 0.00 C ATOM 1416 CD GLU B 64 -13.460 -3.494 8.834 1.00 0.00 C ATOM 1417 OE1 GLU B 64 -12.832 -3.567 9.911 1.00 0.00 O ATOM 1418 OE2 GLU B 64 -14.665 -3.803 8.721 1.00 0.00 O ATOM 0 H GLU B 64 -11.807 -2.481 4.433 1.00 0.00 H new ATOM 0 HA GLU B 64 -10.448 -2.374 6.180 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -11.908 -4.902 7.045 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -10.866 -3.950 8.084 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -12.369 -1.988 7.775 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -13.418 -2.960 6.762 1.00 0.00 H new ATOM 1425 N SER B 65 -8.972 -4.206 4.592 1.00 0.00 N ATOM 1426 CA SER B 65 -7.778 -4.976 4.260 1.00 0.00 C ATOM 1427 C SER B 65 -6.510 -4.174 4.540 1.00 0.00 C ATOM 1428 O SER B 65 -6.476 -2.960 4.338 1.00 0.00 O ATOM 1429 CB SER B 65 -7.806 -5.396 2.791 1.00 0.00 C ATOM 1430 OG SER B 65 -7.831 -4.263 1.941 1.00 0.00 O ATOM 0 H SER B 65 -9.330 -3.634 3.827 1.00 0.00 H new ATOM 0 HA SER B 65 -7.771 -5.866 4.889 1.00 0.00 H new ATOM 0 HB2 SER B 65 -6.930 -6.005 2.566 1.00 0.00 H new ATOM 0 HB3 SER B 65 -8.682 -6.016 2.603 1.00 0.00 H new ATOM 0 HG SER B 65 -8.759 -3.985 1.793 1.00 0.00 H new ATOM 1436 N THR B 66 -5.468 -4.864 4.995 1.00 0.00 N ATOM 1437 CA THR B 66 -4.193 -4.220 5.287 1.00 0.00 C ATOM 1438 C THR B 66 -3.404 -3.985 4.002 1.00 0.00 C ATOM 1439 O THR B 66 -3.323 -4.867 3.147 1.00 0.00 O ATOM 1440 CB THR B 66 -3.342 -5.065 6.255 1.00 0.00 C ATOM 1441 OG1 THR B 66 -4.061 -5.289 7.474 1.00 0.00 O ATOM 1442 CG2 THR B 66 -2.021 -4.375 6.563 1.00 0.00 C ATOM 0 H THR B 66 -5.482 -5.869 5.169 1.00 0.00 H new ATOM 0 HA THR B 66 -4.416 -3.264 5.761 1.00 0.00 H new ATOM 0 HB THR B 66 -3.132 -6.021 5.775 1.00 0.00 H new ATOM 0 HG1 THR B 66 -3.514 -5.828 8.082 1.00 0.00 H new ATOM 0 HG21 THR B 66 -1.439 -4.992 7.248 1.00 0.00 H new ATOM 0 HG22 THR B 66 -1.461 -4.232 5.639 1.00 0.00 H new ATOM 0 HG23 THR B 66 -2.215 -3.406 7.023 1.00 0.00 H new ATOM 1450 N LEU B 67 -2.826 -2.796 3.869 1.00 0.00 N ATOM 1451 CA LEU B 67 -2.048 -2.458 2.682 1.00 0.00 C ATOM 1452 C LEU B 67 -0.590 -2.198 3.042 1.00 0.00 C ATOM 1453 O LEU B 67 -0.293 -1.407 3.936 1.00 0.00 O ATOM 1454 CB LEU B 67 -2.636 -1.226 1.991 1.00 0.00 C ATOM 1455 CG LEU B 67 -4.120 -1.322 1.628 1.00 0.00 C ATOM 1456 CD1 LEU B 67 -4.574 -0.053 0.927 1.00 0.00 C ATOM 1457 CD2 LEU B 67 -4.389 -2.538 0.753 1.00 0.00 C ATOM 0 H LEU B 67 -2.881 -2.053 4.565 1.00 0.00 H new ATOM 0 HA LEU B 67 -2.093 -3.307 2.000 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -2.494 -0.363 2.642 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -2.068 -1.036 1.080 1.00 0.00 H new ATOM 0 HG LEU B 67 -4.690 -1.436 2.550 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -5.631 -0.135 0.675 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -4.424 0.801 1.587 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -3.993 0.087 0.015 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -5.450 -2.583 0.509 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -3.809 -2.460 -0.166 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -4.101 -3.443 1.289 1.00 0.00 H new ATOM 1469 N HIS B 68 0.316 -2.864 2.337 1.00 0.00 N ATOM 1470 CA HIS B 68 1.744 -2.702 2.581 1.00 0.00 C ATOM 1471 C HIS B 68 2.228 -1.339 2.097 1.00 0.00 C ATOM 1472 O HIS B 68 1.960 -0.944 0.965 1.00 0.00 O ATOM 1473 CB HIS B 68 2.522 -3.813 1.878 1.00 0.00 C ATOM 1474 CG HIS B 68 2.155 -5.186 2.348 1.00 0.00 C ATOM 1475 ND1 HIS B 68 2.338 -5.610 3.648 1.00 0.00 N ATOM 1476 CD2 HIS B 68 1.615 -6.236 1.685 1.00 0.00 C ATOM 1477 CE1 HIS B 68 1.928 -6.860 3.764 1.00 0.00 C ATOM 1478 NE2 HIS B 68 1.485 -7.263 2.588 1.00 0.00 N ATOM 0 H HIS B 68 0.087 -3.522 1.592 1.00 0.00 H new ATOM 0 HA HIS B 68 1.918 -2.765 3.655 1.00 0.00 H new ATOM 0 HB2 HIS B 68 2.346 -3.746 0.804 1.00 0.00 H new ATOM 0 HB3 HIS B 68 3.589 -3.656 2.037 1.00 0.00 H new ATOM 0 HD1 HIS B 68 2.729 -5.046 4.402 1.00 0.00 H new ATOM 0 HD2 HIS B 68 1.338 -6.261 0.641 1.00 0.00 H new ATOM 0 HE1 HIS B 68 1.951 -7.452 4.667 1.00 0.00 H new ATOM 1487 N LEU B 69 2.942 -0.621 2.958 1.00 0.00 N ATOM 1488 CA LEU B 69 3.455 0.698 2.601 1.00 0.00 C ATOM 1489 C LEU B 69 4.980 0.707 2.631 1.00 0.00 C ATOM 1490 O LEU B 69 5.590 0.192 3.566 1.00 0.00 O ATOM 1491 CB LEU B 69 2.895 1.756 3.562 1.00 0.00 C ATOM 1492 CG LEU B 69 3.114 3.215 3.155 1.00 0.00 C ATOM 1493 CD1 LEU B 69 2.198 4.129 3.953 1.00 0.00 C ATOM 1494 CD2 LEU B 69 4.560 3.620 3.367 1.00 0.00 C ATOM 0 H LEU B 69 3.178 -0.927 3.902 1.00 0.00 H new ATOM 0 HA LEU B 69 3.132 0.935 1.587 1.00 0.00 H new ATOM 0 HB2 LEU B 69 1.824 1.587 3.672 1.00 0.00 H new ATOM 0 HB3 LEU B 69 3.345 1.602 4.543 1.00 0.00 H new ATOM 0 HG LEU B 69 2.877 3.312 2.095 1.00 0.00 H new ATOM 0 HD11 LEU B 69 2.365 5.163 3.653 1.00 0.00 H new ATOM 0 HD12 LEU B 69 1.159 3.859 3.763 1.00 0.00 H new ATOM 0 HD13 LEU B 69 2.412 4.021 5.016 1.00 0.00 H new ATOM 0 HD21 LEU B 69 4.693 4.661 3.071 1.00 0.00 H new ATOM 0 HD22 LEU B 69 4.819 3.506 4.420 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.208 2.985 2.763 1.00 0.00 H new ATOM 1506 N VAL B 70 5.590 1.304 1.608 1.00 0.00 N ATOM 1507 CA VAL B 70 7.045 1.386 1.530 1.00 0.00 C ATOM 1508 C VAL B 70 7.487 2.780 1.102 1.00 0.00 C ATOM 1509 O VAL B 70 7.014 3.310 0.096 1.00 0.00 O ATOM 1510 CB VAL B 70 7.621 0.355 0.538 1.00 0.00 C ATOM 1511 CG1 VAL B 70 9.141 0.445 0.493 1.00 0.00 C ATOM 1512 CG2 VAL B 70 7.175 -1.053 0.904 1.00 0.00 C ATOM 0 H VAL B 70 5.100 1.736 0.825 1.00 0.00 H new ATOM 0 HA VAL B 70 7.427 1.168 2.527 1.00 0.00 H new ATOM 0 HB VAL B 70 7.236 0.585 -0.455 1.00 0.00 H new ATOM 0 HG11 VAL B 70 9.528 -0.290 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL B 70 9.437 1.445 0.175 1.00 0.00 H new ATOM 0 HG13 VAL B 70 9.547 0.245 1.485 1.00 0.00 H new ATOM 0 HG21 VAL B 70 7.593 -1.764 0.191 1.00 0.00 H new ATOM 0 HG22 VAL B 70 7.525 -1.296 1.907 1.00 0.00 H new ATOM 0 HG23 VAL B 70 6.087 -1.109 0.876 1.00 0.00 H new ATOM 1522 N LEU B 71 8.393 3.370 1.875 1.00 0.00 N ATOM 1523 CA LEU B 71 8.899 4.706 1.582 1.00 0.00 C ATOM 1524 C LEU B 71 10.020 4.658 0.548 1.00 0.00 C ATOM 1525 O LEU B 71 11.009 3.947 0.723 1.00 0.00 O ATOM 1526 CB LEU B 71 9.403 5.372 2.865 1.00 0.00 C ATOM 1527 CG LEU B 71 8.374 5.474 3.994 1.00 0.00 C ATOM 1528 CD1 LEU B 71 8.996 6.113 5.226 1.00 0.00 C ATOM 1529 CD2 LEU B 71 7.156 6.265 3.539 1.00 0.00 C ATOM 0 H LEU B 71 8.792 2.943 2.711 1.00 0.00 H new ATOM 0 HA LEU B 71 8.079 5.293 1.169 1.00 0.00 H new ATOM 0 HB2 LEU B 71 10.265 4.814 3.230 1.00 0.00 H new ATOM 0 HB3 LEU B 71 9.752 6.375 2.621 1.00 0.00 H new ATOM 0 HG LEU B 71 8.050 4.467 4.255 1.00 0.00 H new ATOM 0 HD11 LEU B 71 8.250 6.177 6.018 1.00 0.00 H new ATOM 0 HD12 LEU B 71 9.835 5.506 5.566 1.00 0.00 H new ATOM 0 HD13 LEU B 71 9.349 7.114 4.978 1.00 0.00 H new ATOM 0 HD21 LEU B 71 6.436 6.326 4.355 1.00 0.00 H new ATOM 0 HD22 LEU B 71 7.462 7.270 3.249 1.00 0.00 H new ATOM 0 HD23 LEU B 71 6.696 5.766 2.686 1.00 0.00 H new ATOM 1541 N ARG B 72 9.863 5.427 -0.523 1.00 0.00 N ATOM 1542 CA ARG B 72 10.868 5.482 -1.580 1.00 0.00 C ATOM 1543 C ARG B 72 12.103 6.242 -1.105 1.00 0.00 C ATOM 1544 O ARG B 72 11.992 7.243 -0.398 1.00 0.00 O ATOM 1545 CB ARG B 72 10.297 6.150 -2.833 1.00 0.00 C ATOM 1546 CG ARG B 72 11.271 6.183 -4.000 1.00 0.00 C ATOM 1547 CD ARG B 72 10.686 6.917 -5.197 1.00 0.00 C ATOM 1548 NE ARG B 72 11.586 6.899 -6.349 1.00 0.00 N ATOM 1549 CZ ARG B 72 12.796 7.452 -6.357 1.00 0.00 C ATOM 1550 NH1 ARG B 72 13.251 8.086 -5.284 1.00 0.00 N ATOM 1551 NH2 ARG B 72 13.553 7.376 -7.443 1.00 0.00 N ATOM 0 H ARG B 72 9.050 6.021 -0.683 1.00 0.00 H new ATOM 0 HA ARG B 72 11.156 4.460 -1.827 1.00 0.00 H new ATOM 0 HB2 ARG B 72 9.394 5.620 -3.138 1.00 0.00 H new ATOM 0 HB3 ARG B 72 10.001 7.170 -2.588 1.00 0.00 H new ATOM 0 HG2 ARG B 72 12.195 6.671 -3.690 1.00 0.00 H new ATOM 0 HG3 ARG B 72 11.529 5.164 -4.288 1.00 0.00 H new ATOM 0 HD2 ARG B 72 9.736 6.459 -5.473 1.00 0.00 H new ATOM 0 HD3 ARG B 72 10.474 7.950 -4.920 1.00 0.00 H new ATOM 0 HE ARG B 72 11.267 6.434 -7.199 1.00 0.00 H new ATOM 0 HH11 ARG B 72 12.672 8.151 -4.447 1.00 0.00 H new ATOM 0 HH12 ARG B 72 14.180 8.508 -5.296 1.00 0.00 H new ATOM 0 HH21 ARG B 72 13.208 6.893 -8.273 1.00 0.00 H new ATOM 0 HH22 ARG B 72 14.481 7.800 -7.449 1.00 0.00 H new